On the uniqueness of the constrained space orbital variation (CSOV) technique

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.

1986-01-01

Several CSOV analyses are performed for the 1Sigma(+) state of NiCO, and it is shown that the importance of the CO sigma donation, Ni pi back donation, and interunit polarizations are virtually independent of the order of the CSOV steps, provided that the open-shell 3d sigma and 4s Ni orbitals are orthogonalized to the CO. This order of orthogonalization is consistent with the polarization of the Ni observed in the unconstrained SCF wavefunction. If instead the CO is orthogonalized to the open-shell Ni orbitals, the frozen orbital repulsion and entire CSOV analysis becomes unphysical. A comparison of the SCF and CAS SCF descriptions for the NiCO 1Sigma(+) state shows the importance of the s to d promotion and sd hybridization in reducing the repulsion and increasing the Ni to CO pi bonding. For LiF, CSOV analyses starting from both the neutral and ionic asymptotes show the bonding to be predominantly Li(+) - F(-). These examples show the uniqueness of the CSOV decomposition.

A state interaction spin-orbit coupling density matrix renormalization group method

NASA Astrophysics Data System (ADS)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

2016-06-01

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe2S2(SCH3)4]3-, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.

Staggered Orbital Currents in the Half-Filled Two-Leg Ladder

NASA Astrophysics Data System (ADS)

Fjaerestad, J. O.; Marston, Brad; Sudbo, A.

2002-03-01

We present strong analytical and numerical evidence for the existence of a staggered flux (SF) phase in the half-filled two-leg ladder, with true long-range order in the counter-circulating currents. Using abelian bosonization with a careful treatment of the Klein factors, we show that a certain phase of the half-filled ladder, previously identified as having spin-Peierls order, instead exhibits staggered orbital currents with no dimerization.(J. O. Fjærestad and J. B. Marston, cond- mat/0107094.) This result, combined with a weak-coupling renormalization-group analysis, implies that the SF phase exists in a region of the phase diagram of the half-filled t-U-V-J ladder. Using the density-matrix renormalization-group (DMRG) approach generalized to complex-valued wavefunctions, we demonstrate that the SF phase exhibits robust currents at intermediate values of the interaction strengths.

Many-body theory of effective mass in degenerate semiconductors

NASA Astrophysics Data System (ADS)

Tripathi, G. S.; Shadangi, S. K.

2018-03-01

We derive the many-body theory of the effective mass in the effective mass representation (EMR). In the EMR, we need to solve the equation of motion of an electron in the presence of electron-electron interactions, where the wavefunction is expanded over a complete set of Luttinger-Kohn wavefunctions. We use the Luttinger-Ward thermodynamic potential and the Green’s function perturbation to derive an expression for the band effective mass by taking into account the electron-electron interactions. Both quasi-particle and the correlation contributions are considered. We show that had we considered only the quasi-particle contribution, we would have missed important cancellations. Thus the correlated motion of electrons has important effects in the renormalization of the effective mass. Considering the exchange self-energy in the band model, we derive a tractable expression for the band effective mass. We apply the theory to n-type degenerate semiconductors, PbTe and SnTe, and analyze the impact of the theory on the anisotropic effective mass of the conduction bands in these systems.

A state interaction spin-orbit coupling density matrix renormalization group method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sayfutyarova, Elvira R.; Chan, Garnet Kin-Lic

We describe a state interaction spin-orbit (SISO) coupling method using density matrix renormalization group (DMRG) wavefunctions and the spin-orbit mean-field (SOMF) operator. We implement our DMRG-SISO scheme using a spin-adapted algorithm that computes transition density matrices between arbitrary matrix product states. To demonstrate the potential of the DMRG-SISO scheme we present accurate benchmark calculations for the zero-field splitting of the copper and gold atoms, comparing to earlier complete active space self-consistent-field and second-order complete active space perturbation theory results in the same basis. We also compute the effects of spin-orbit coupling on the spin-ladder of the iron-sulfur dimer complex [Fe{submore » 2}S{sub 2}(SCH{sub 3}){sub 4}]{sup 3−}, determining the splitting of the lowest quartet and sextet states. We find that the magnitude of the zero-field splitting for the higher quartet and sextet states approaches a significant fraction of the Heisenberg exchange parameter.« less

Cross sections for electron impact excitation of the b 3Sigma(+)u state of H2 - An application of the Schwinger multichannel variational method

NASA Technical Reports Server (NTRS)

Lima, M. A. P.; Gibson, T. L.; Mckoy, V.; Huo, W. M.

1985-01-01

In this and the two accompanying letters, the results of calculations of the cross sections for electron impact excitation of the b 3Sigma(+)u state of H2, for collision energies from near threshold to 30 eV, are presented. These results are obtained using a multichannel extension of the Schwinger variational principle at the two-state level. The quantitative agreement between the integral cross sections of these three studies is very good. Inclusion of correlation terms in the scattering wavefunctions, which relax the orthogonality between bound and continuum orbitals, is seen to affect the cross sections substantially. Although a comparison of these calculated cross sections with available experimental data is encouraging, some seious discrepancies exist.

Loop Variables in String Theory

NASA Astrophysics Data System (ADS)

Sathiapalan, B.

The loop variable approach is a proposal for a gauge-invariant generalization of the sigma-model renormalization group method of obtaining equations of motion in string theory. The basic guiding principle is space-time gauge invariance rather than world sheet properties. In essence it is a version of Wilson's exact renormalization group equation for the world sheet theory. It involves all the massive modes and is defined with a finite world sheet cutoff, which allows one to go off the mass-shell. On shell the tree amplitudes of string theory are reproduced. The equations are gauge-invariant off shell also. This paper is a self-contained discussion of the loop variable approach as well as its connection with the Wilsonian RG.

Highly Resolved Studies of Vacuum Ultraviolet Photoionization Dynamics

NASA Astrophysics Data System (ADS)

Kakar, Sandeep

We use measurements of dispersed fluorescence from electronically excited photoions to study fundamental aspects of intramolecular dynamics. Our experimental innovations make it possible to obtain highly resolved photoionization data that offer qualitative insights into molecular scattering. In particular, we obtain vibrationally resolved data to probe coupling between the electronic and nuclear degrees of freedom by studying the distribution of vibrational energy among photoions. Vibrationally resolved branching ratios are measured over a broad spectral range of excitation energy and their non-Franck-Condon behavior is used as a tool to investigate two diverse aspects of shape resonant photoionization. First, vibrational branching ratios are obtained for the SiF_4 5a _1^{-1} and CS_2 5sigma_{rm u} ^{-1} photoionization channels to help elucidate the microscopic aspects of shape resonant wavefunction for polyatomic molecules. It is shown that in such molecules the shape resonant wavefunction is not necessarily attributable to a specific bond in the molecule. Second, the multichannel aspect of shape resonant photoionization dynamics, reflected in continuum channel coupling, is investigated by obtaining vibrational branching ratios for the 2 sigma_{rm u}^{ -1} and 4sigma^{ -1} photoionization of the isoelectronic molecules N_2 and CO, respectively. These data indicate that effects of continuum coupling may be widespread. We also present the first set of rotationally resolved data over a wide energy range for the 2 sigma_{rm u}^{ -1} photoionization of N_2. These data probe the partitioning of the angular momentum between the photoelectron and photoion, and highlight the multicenter nature of the molecular potential. These case studies illustrate the utility of dispersed fluorescence measurements as a complement to photoelectron spectroscopy for obtaining highly resolved data for molecular photoionization. These measurements makes it possible to probe intrinsically molecular aspects, such as the vibration and rotation, of photoionization dynamics over an extended spectral range when used in conjunction with synchrotron radiation as the exciting source. Furthermore, the high resolution made possible by this technique provides high selectivity for accessing weaker ionization channels which are the ones strongly affected by resonant activity, and the present study repeatedly stresses the importance of this capability in discovering and deciphering new trends in resonant molecular ionization dynamics.

Renormalization group flows and continual Lie algebras

NASA Astrophysics Data System (ADS)

Bakas, Ioannis

2003-08-01

We study the renormalization group flows of two-dimensional metrics in sigma models using the one-loop beta functions, and demonstrate that they provide a continual analogue of the Toda field equations in conformally flat coordinates. In this algebraic setting, the logarithm of the world-sheet length scale, t, is interpreted as Dynkin parameter on the root system of a novel continual Lie algebra, denoted by Script G(d/dt;1), with anti-symmetric Cartan kernel K(t,t') = delta'(t-t'); as such, it coincides with the Cartan matrix of the superalgebra sl(N|N+1) in the large-N limit. The resulting Toda field equation is a non-linear generalization of the heat equation, which is integrable in target space and shares the same dissipative properties in time, t. We provide the general solution of the renormalization group flows in terms of free fields, via Bäcklund transformations, and present some simple examples that illustrate the validity of their formal power series expansion in terms of algebraic data. We study in detail the sausage model that arises as geometric deformation of the O(3) sigma model, and give a new interpretation to its ultra-violet limit by gluing together two copies of Witten's two-dimensional black hole in the asymptotic region. We also provide some new solutions that describe the renormalization group flow of negatively curved spaces in different patches, which look like a cane in the infra-red region. Finally, we revisit the transition of a flat cone C/Zn to the plane, as another special solution, and note that tachyon condensation in closed string theory exhibits a hidden relation to the infinite dimensional algebra Script G(d/dt;1) in the regime of gravity. Its exponential growth holds the key for the construction of conserved currents and their systematic interpretation in string theory, but they still remain unknown.

Selection of active spaces for multiconfigurational wavefunctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-28

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximatemore » the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.« less

Selection of active spaces for multiconfigurational wavefunctions

NASA Astrophysics Data System (ADS)

Keller, Sebastian; Boguslawski, Katharina; Janowski, Tomasz; Reiher, Markus; Pulay, Peter

2015-06-01

The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F2, ozone, and NO2), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr2). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions are discussed: finding the UHF solutions, discontinuities on potential energy surfaces, and inclusion of dynamical electron correlation and generalization to excited states.

Flavor and baryon quantum numbers and their nondiffractive renormalizations of the Pomeron

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dash, J.W.; Jones, S.T.; Manesis, E.K.

We present a theoretical review and a detailed phonomenological description of the ''flavoring'' of the bare Pomeron pole at t = 0 (i.e., the nondiffractive renormalization of its multiperipheral unitarity sum by strange quarks, charmed quarks, diquarks,...) from an ''unflavored'' intercept alpha-circumflex = 0.85 to a ''flavored'' intercept ..cap alpha.. approx. = 1.08. Experimentally, flavoring effects seem to converge rapidly; hence this number is probably close to the bare intercept of the Reggeon field theory. We treat NN, ..pi..N, and KN total cross sections and real to imaginary amplitude ratios. We do not observe oscillations. We pay particular attention tomore » 2sigma/sub K/N - sigma/sub piN/ which rises monotonically. We present a closely related combination of inelastic diffraction cross sections which decreases monotonically, indicating that vacuum amplitudes are not simply the sum of a Pomeron pole and an ideally mixed f. In fact we argue that a Pomeron + f structure is neither compatible with flavoring nor with schemes in which flavoring is somehow absorbed away. In contrast, flavoring is required for consistency with experiment by the Chew-Rosenzweig hypothesis of the Pomeron-f identity. We close with a description of flavoring threshold effects on the Reggeon field theory at current energies.« less

Pion-nucleon scattering in covariant baryon chiral perturbation theory with explicit Delta resonances

NASA Astrophysics Data System (ADS)

Yao, De-Liang; Siemens, D.; Bernard, V.; Epelbaum, E.; Gasparyan, A. M.; Gegelia, J.; Krebs, H.; Meißner, Ulf-G.

2016-05-01

We present the results of a third order calculation of the pion-nucleon scattering amplitude in a chiral effective field theory with pions, nucleons and delta resonances as explicit degrees of freedom. We work in a manifestly Lorentz invariant formulation of baryon chiral perturbation theory using dimensional regularization and the extended on-mass-shell renormalization scheme. In the delta resonance sector, the on mass-shell renormalization is realized as a complex-mass scheme. By fitting the low-energy constants of the effective Lagrangian to the S- and P -partial waves a satisfactory description of the phase shifts from the analysis of the Roy-Steiner equations is obtained. We predict the phase shifts for the D and F waves and compare them with the results of the analysis of the George Washington University group. The threshold parameters are calculated both in the delta-less and delta-full cases. Based on the determined low-energy constants, we discuss the pion-nucleon sigma term. Additionally, in order to determine the strangeness content of the nucleon, we calculate the octet baryon masses in the presence of decuplet resonances up to next-to-next-to-leading order in SU(3) baryon chiral perturbation theory. The octet baryon sigma terms are predicted as a byproduct of this calculation.

Pointless strings

DOE Office of Scientific and Technical Information (OSTI.GOV)

Periwal, V.

1988-01-01

The author proves that bosonic string perturbation theory diverges and is not Borel summable. This is an indication of a non-perturbative instability of the bosonic string vacuum. He formulates two-dimensional sigma models in terms of algebras of functions. He extends this formulation to general C* algebras. He illustrates the utility of these algebraic notions by calculating some determinants of interest in the study of string propagation in orbifold backgrounds. He studies the geometry of spaces of field theories and show that the vanishing of the curvature of the natural Gel'fand-Naimark-Segal metric on such spaces is exactly the strong associativity conditionmore » of the operator product expansion.He shows that string scattering amplitudes arise as invariants of renormalization, when he formulates renormalization in terms of rescalings of the metric on the string world-sheet.« less

Phase transition kinetics for a Bose Einstein condensate in a periodically driven band system

NASA Astrophysics Data System (ADS)

Michon, E.; Cabrera-Gutiérrez, C.; Fortun, A.; Berger, M.; Arnal, M.; Brunaud, V.; Billy, J.; Petitjean, C.; Schlagheck, P.; Guéry-Odelin, D.

2018-05-01

The dynamical transition of an atomic Bose–Einstein condensate from a spatially periodic state to a staggered state with alternating sign in its wavefunction is experimentally studied using a one-dimensional phase modulated optical lattice. We observe the crossover from quantum to thermal fluctuations as the triggering mechanism for the nucleation of staggered states. In good quantitative agreement with numerical simulations based on the truncated Wigner method, we experimentally investigate how the nucleation time varies with the renormalized tunneling rate, the atomic density, and the driving frequency. The effective inverted energy band in the driven lattice is identified as the key ingredient which explains the emergence of gap solitons as observed in numerics and the possibility to nucleate staggered states from interband excitations as reported experimentally.

Point-particle effective field theory I: classical renormalization and the inverse-square potential

NASA Astrophysics Data System (ADS)

Burgess, C. P.; Hayman, Peter; Williams, M.; Zalavári, László

2017-04-01

Singular potentials (the inverse-square potential, for example) arise in many situations and their quantum treatment leads to well-known ambiguities in choosing boundary conditions for the wave-function at the position of the potential's singularity. These ambiguities are usually resolved by developing a self-adjoint extension of the original prob-lem; a non-unique procedure that leaves undetermined which extension should apply in specific physical systems. We take the guesswork out of this picture by using techniques of effective field theory to derive the required boundary conditions at the origin in terms of the effective point-particle action describing the physics of the source. In this picture ambiguities in boundary conditions boil down to the allowed choices for the source action, but casting them in terms of an action provides a physical criterion for their determination. The resulting extension is self-adjoint if the source action is real (and involves no new degrees of freedom), and not otherwise (as can also happen for reasonable systems). We show how this effective-field picture provides a simple framework for understanding well-known renormalization effects that arise in these systems, including how renormalization-group techniques can resum non-perturbative interactions that often arise, particularly for non-relativistic applications. In particular we argue why the low-energy effective theory tends to produce a universal RG flow of this type and describe how this can lead to the phenomenon of reaction catalysis, in which physical quantities (like scattering cross sections) can sometimes be surprisingly large compared to the underlying scales of the source in question. We comment in passing on the possible relevance of these observations to the phenomenon of the catalysis of baryon-number violation by scattering from magnetic monopoles.

Ring-breaking electron attachment to uracil: following bond dissociations via evolving resonances.

PubMed

Gianturco, Franco A; Sebastianelli, F; Lucchese, R R; Baccarelli, I; Sanna, N

2008-05-07

Calculations are carried out at various distinct energies to obtain both elastic cross sections and S-matrix resonance indicators (poles) from a quantum treatment of the electron scattering from gas-phase uracil. The low-energy region confirms the presence of pi(*) resonances as revealed by earlier calculations and experiments which are compared with the present findings. They turn out to be little affected by bond deformation, while the transient negative ions (TNIs) associated with sigma(*) resonances in the higher energy region ( approximately 8 eV) indeed show that ring deformations which allow vibrational redistribution of the excess electron energy into the molecular target strongly affect these shape resonances: They therefore evolve along different dissociative pathways and stabilize different fragment anions. The calculations further show that the occurrence of conical intersections between sigma(*) and pi(*)-type potential energy surfaces (real parts) is a very likely mechanism responsible for energy transfers between different TNIs. The excess electron wavefunctions for such scattering states, once mapped over the molecular space, provide nanoscopic reasons for the selective breaking of different bonds in the ring region.

Asymptotically free theory with scale invariant thermodynamics

NASA Astrophysics Data System (ADS)

Ferrari, Gabriel N.; Kneur, Jean-Loïc; Pinto, Marcus Benghi; Ramos, Rudnei O.

2017-12-01

A recently developed variational resummation technique, incorporating renormalization group properties consistently, has been shown to solve the scale dependence problem that plagues the evaluation of thermodynamical quantities, e.g., within the framework of approximations such as in the hard-thermal-loop resummed perturbation theory. This method is used in the present work to evaluate thermodynamical quantities within the two-dimensional nonlinear sigma model, which, apart from providing a technically simpler testing ground, shares some common features with Yang-Mills theories, like asymptotic freedom, trace anomaly and the nonperturbative generation of a mass gap. The present application confirms that nonperturbative results can be readily generated solely by considering the lowest-order (quasiparticle) contribution to the thermodynamic effective potential, when this quantity is required to be renormalization group invariant. We also show that when the next-to-leading correction from the method is accounted for, the results indicate convergence, apart from optimally preserving, within the approximations here considered, the sought-after scale invariance.

Real-space finite-difference approach for multi-body systems: path-integral renormalization group method and direct energy minimization method.

PubMed

Sasaki, Akira; Kojo, Masashi; Hirose, Kikuji; Goto, Hidekazu

2011-11-02

The path-integral renormalization group and direct energy minimization method of practical first-principles electronic structure calculations for multi-body systems within the framework of the real-space finite-difference scheme are introduced. These two methods can handle higher dimensional systems with consideration of the correlation effect. Furthermore, they can be easily extended to the multicomponent quantum systems which contain more than two kinds of quantum particles. The key to the present methods is employing linear combinations of nonorthogonal Slater determinants (SDs) as multi-body wavefunctions. As one of the noticeable results, the same accuracy as the variational Monte Carlo method is achieved with a few SDs. This enables us to study the entire ground state consisting of electrons and nuclei without the need to use the Born-Oppenheimer approximation. Recent activities on methodological developments aiming towards practical calculations such as the implementation of auxiliary field for Coulombic interaction, the treatment of the kinetic operator in imaginary-time evolutions, the time-saving double-grid technique for bare-Coulomb atomic potentials and the optimization scheme for minimizing the total-energy functional are also introduced. As test examples, the total energy of the hydrogen molecule, the atomic configuration of the methylene and the electronic structures of two-dimensional quantum dots are calculated, and the accuracy, availability and possibility of the present methods are demonstrated.

Thermodynamics in the vicinity of a relativistic quantum critical point in 2+1 dimensions.

PubMed

Rançon, A; Kodio, O; Dupuis, N; Lecheminant, P

2013-07-01

We study the thermodynamics of the relativistic quantum O(N) model in two space dimensions. In the vicinity of the zero-temperature quantum critical point (QCP), the pressure can be written in the scaling form P(T)=P(0)+N(T(3)/c(2))F(N)(Δ/T), where c is the velocity of the excitations at the QCP and |Δ| a characteristic zero-temperature energy scale. Using both a large-N approach to leading order and the nonperturbative renormalization group, we compute the universal scaling function F(N). For small values of N (N/~1) regimes, but fails to describe the nonmonotonic behavior of F(N) in the quantum critical regime. We discuss the renormalization-group flows in the various regimes near the QCP and make the connection with the quantum nonlinear sigma model in the renormalized classical regime. We compute the Berezinskii-Kosterlitz-Thouless transition temperature in the quantum O(2) model and find that in the vicinity of the QCP the universal ratio T(BKT)/ρ(s)(0) is very close to π/2, implying that the stiffness ρ(s)(T(BKT)(-)) at the transition is only slightly reduced with respect to the zero-temperature stiffness ρ(s)(0). Finally, we briefly discuss the experimental determination of the universal function F(2) from the pressure of a Bose gas in an optical lattice near the superfluid-Mott-insulator transition.

Nontrivial thermodynamics in 't Hooft's large-N limit

NASA Astrophysics Data System (ADS)

Cubero, Axel Cortés

2015-05-01

We study the finite volume/temperature correlation functions of the (1 +1 )-dimensional SU (N ) principal chiral sigma model in the planar limit. The exact S-matrix of the sigma model is known to simplify drastically at large N , and this leads to trivial thermodynamic Bethe ansatz (TBA) equations. The partition function, if derived using the TBA, can be shown to be that of free particles. We show that the correlation functions and expectation values of operators at finite volume/temperature are not those of the free theory, and that the TBA does not give enough information to calculate them. Our analysis is done using the Leclair-Mussardo formula for finite-volume correlators, and knowledge of the exact infinite-volume form factors. We present analytical results for the one-point function of the energy-momentum tensor, and the two-point function of the renormalized field operator. The results for the energy-momentum tensor can be used to define a nontrivial partition function.

Self-Avoiding Walks on the Random Lattice and the Random Hopping Model on a Cayley Tree

NASA Astrophysics Data System (ADS)

Kim, Yup

Using a field theoretic method based on the replica trick, it is proved that the three-parameter renormalization group for an n-vector model with quenched randomness reduces to a two-parameter one in the limit n (--->) 0 which corresponds to self-avoiding walks (SAWs). This is also shown by the explicit calculation of the renormalization group recursion relations to second order in (epsilon). From this reduction we find that SAWs on the random lattice are in the same universality class as SAWs on the regular lattice. By analogy with the case of the n-vector model with cubic anisotropy in the limit n (--->) 1, the fixed-point structure of the n-vector model with randomness is analyzed in the SAW limit, so that a physical interpretation of the unphysical fixed point is given. Corrections of the values of critical exponents of the unphysical fixed point published previously is also given. Next we formulate an integral equation and recursion relations for the configurationally averaged one particle Green's function of the random hopping model on a Cayley tree of coordination number ((sigma) + 1). This formalism is tested by applying it successfully to the nonrandom model. Using this scheme for 1 << (sigma) < (INFIN) we calculate the density of states of this model with a Gaussian distribution of hopping matrix elements in the range of energy E('2) > E(,c)('2), where E(,c) is a critical energy described below. The singularity in the Green's function which occurs at energy E(,1)('(0)) for (sigma) = (INFIN) is shifted to complex energy E(,1) (on the unphysical sheet of energy E) for small (sigma)('-1). This calculation shows that the density of states is smooth function of energy E around the critical energy E(,c) = Re E(,1) in accord with Wegner's theorem. In this formulation the density of states has no sharp phase transition on the real axis of E because E(,1) has developed an imaginary part. Using the Lifschitz argument, we calculate the density of states near the band edge for the model when the hopping matrix elements are governed by a bounded probability distribution. It is also shown within the dynamical system language that the density of states of the model with a bounded distribution never vanishes inside the band and we suggest a theoretical mechanism for the formation of energy bands.

Tachyonic instability of the scalar mode prior to the QCD critical point based on the functional renormalization-group method in the two-flavor case

NASA Astrophysics Data System (ADS)

Yokota, Takeru; Kunihiro, Teiji; Morita, Kenji

2017-10-01

We establish and elucidate the physical meaning of the appearance of an acausal mode in the sigma mesonic channel, found in the previous work by the present authors, when the system approaches the Z2 critical point. The functional renormalization-group method is applied to the two-flavor quark-meson model with varying current quark mass mq even away from the physical value at which the pion mass is reproduced. We first determine the whole phase structure in the three-dimensional space (T ,μ ,mq) consisting of temperature T , quark chemical potential μ and mq, with the tricritical point, O(4) and Z2 critical lines being located; they altogether make a winglike shape quite reminiscent of those known in the condensed matters with a tricritical point. We then calculate the spectral functions ρσ ,π(ω ,p ) in the scalar and pseudoscalar channel around the critical points. We find that the sigma mesonic mode becomes tachyonic with a superluminal velocity at finite momenta before the system reaches the Z2 point from the lower density, even for mq smaller than the physical value. One of the possible implications of the appearance of such a tachyonic mode at finite momenta is that the assumed equilibrium state with a uniform chiral condensate is unstable toward a state with an inhomogeneous σ condensate. No such anomalous behavior is found in the pseudoscalar channel. We find that the σ -to-2 σ coupling due to finite mq plays an essential role for the drastic modification of the spectral function.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gergely, Laszlo Arpad; Department of Experimental Physics, University of Szeged, Dom ter 9, Szeged 6720; Department of Applied Science, London South Bank University, 103 Borough Road, London SE1 0AA

We give here a new third post-Newtonian (3PN) spin-spin contribution (in the PN parameter {epsilon}) to the accumulated orbital phase of a compact binary, arising from the spin-orbit precessional motion of the spins. In the equal mass case, this contribution vanishes, but Laser Interferometer Space Antenna (LISA) sources of merging supermassive binary black holes have typically a mass ratio of 1:10. For such nonequal masses, this 3PN correction is periodic in time, with a period approximately {epsilon}{sup -1} times larger than the period of gravitational waves. We derive a renormalized and simpler expression of the spin-spin coefficient at 2PN, asmore » an average over the time scale of this period of the combined 2PN and 3PN contribution. We also find that for LISA sources the quadrupole-monopole contribution to the phase dominates over the spin-spin contribution, while the self-spin contribution is negligible even for the dominant spin. Finally, we define a renormalized total spin coefficient {sigma} to be employed in the search for gravitational waves emitted by LISA sources.« less

Nonrelativistic Conformed Symmetry in 2 + 1 Dimensional Field Theory.

NASA Astrophysics Data System (ADS)

Bergman, Oren

This thesis is devoted to the study of conformal invariance and its breaking in non-relativistic field theories. It is a well known feature of relativistic field theory that theories which are conformally invariant at the classical level can acquire a conformal anomaly upon quantization and renormalization. The anomaly appears through the introduction of an arbitrary, but dimensionful, renormalization scale. One does not usually associate the concepts of renormalization and anomaly with nonrelativistic quantum mechanics, but there are a few examples where these concepts are useful. The most well known case is the two-dimensional delta -function potential. In two dimensions the delta-function scales like the kinetic term of the Hamiltonian, and therefore the problem is classically conformally invariant. Another example of classical conformal invariance is the famous Aharonov-Bohm (AB) problem. In that case each partial wave sees a 1/r^2 potential. We use the second quantized formulation of these problems, namely the nonrelativistic field theories, to compute Green's functions and derive the conformal anomaly. In the case of the AB problem we also solve an old puzzle, namely how to reproduce the result of Aharonov and Bohm in perturbation theory. The thesis is organized in the following manner. Chapter 1 is an introduction to nonrelativistic field theory, nonrelativistic conformal invariance, contact interactions and the AB problem. In Chapter 2 we discuss nonrelativistic scalar field theory, and how its quantization produces the anomaly. Chapter 3 is devoted to the AB problem, and the resolution of the perturbation puzzle. In Chapter 4 we generalize the discussion of Chapter 3 to particles carrying nonabelian charges. The structure of the nonabelian theory is much richer, and deserves a separate discussion. We also comment on the issues of forward scattering and single -valuedness of wavefunctions, which are important for Chapter 3 as well. (Copies available exclusively from MIT Libraries, Rm. 14-0551, Cambridge, MA 02139-4307. Ph. 617-253-5668; Fax 617-253-1690.).

Anatomy of the ρ resonance from lattice QCD at the physical point

NASA Astrophysics Data System (ADS)

Sun, Wei; Alexandru, Andrei; Chen, Ying; Draper, Terrence; Liu, Zhaofeng; Yang, Yi-Bo; χQCD Collaboration

2018-05-01

We propose a strategy to access the q\\bar{q} component of the ρ resonance in lattice QCD. Through a mixed action formalism (overlap valence on domain wall sea), the energy of the q\\bar{q} component is derived at different valence quark masses, and shows a linear dependence on {m}{{π }}2. The slope is determined to be {c}1=0.505(3) {{{GeV}}}-1, from which the valence {{π }}{{ρ }} sigma term is extracted to be {σ }{{π }{{ρ }}}({val)}=9.82(6) MeV using the Feynman-Hellman theorem. At the physical pion mass, the mass of the q\\bar{q} component is interpolated to be {m}{{ρ }}=775.9+/- 6.0+/- 1.8 {{MeV}}, which is close to the ρ resonance mass. We also obtain the leptonic decay constant of the q\\bar{q} component to be {f}{{{ρ }}-}=208.5+/- 5.5+/- 0.9 {{MeV}}, which can be compared with the experimental value {f}{{ρ }}{{\\exp }}≈ 221 {{MeV}} through the relation {f}{{ρ }}{{\\exp }}=\\sqrt{{Z}{{ρ }}}{f}{{{ρ }}+/- }, with {Z}{{ρ }}≈ 1.13 being the on-shell wavefunction renormalization of ρ owing to the {{ρ }}-{{π }} interaction. We emphasize that {m}{{ρ }} and {f}{{ρ }} of the q\\bar{q} component, which are obtained for the first time from QCD, can be taken as the input parameters of ρ in effective field theory studies where ρ acts as a fundamental degree of freedom. Supported in part by the U.S. DOE Grant No. DE-SC0013065, the National Nature Science Foundation of China (NSFC) (11335001, 11575196, 11575197, 11621131001) (CRC110 by DFG and NSFC), A. A. is supported in part by the National Science Foundation CAREER (PHY-1151648) and by U.S. DOE (DE-FG02-95ER40907), Y. C. thanks the CAS Center for Excellence in Particle Physics (CCEPP) for their support, this research used the resources of the Oak Ridge Leadership Computing Facility at the Oak Ridge National Laboratory, which is supported by the Office of Science of the U.S. Department of Energy (DE-AC05-00OR22725)

Polarization phenomena in quantum chromodynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, S.J.

1994-12-01

The author discusses a number of interrelated hadronic spin effects which test fundamental features of perturbative and nonperturbative QCD. For example, the anomalous magnetic moment of the proton and the axial coupling g{sub A} on the nucleon are shown to be related to each other for fixed proton radius, independent of the form of the underlying three-quark relativistic quark wavefunction. The renormalization scale and scheme ambiguities for the radiative corrections to the Bjorken sum rule for the polarized structure functions can be eliminated by using commensurate scale relations with other observables. Other examples include (a) new constraints on the shapemore » and normalization of the polarized quark and gluon structure functions of the proton at large and small x{sub bj}; (b) consequences of the principle of hadron retention in high x{sub F} inclusive reactions; (c) applications of hadron helicity conservation to high momentum transfer exclusive reactions; and (d) the dependence of nuclear structure functions and shadowing on virtual photon polarization. The author also discusses the implications of a number of measurements which are in striking conflict with leading-twist perturbative QCD predictions, such as the extraordinarily large spin correlation A{sub NN} observed in large angle proton-proton scattering, the anomalously large {rho}{pi} branching ratio of the J/{psi}, and the rapidly changing polarization dependence of both J/{psi} and continuum lepton pair hadroproduction observed at large x{sub F}. The azimuthal angular dependence of the Drell-Yan process is shown to be highly sensitive to the projectile distribution amplitude, the fundamental valence light-cone wavefunction of the hadron.« less

Masses and sigma terms of doubly charmed baryons up to O (p4) in manifestly Lorentz-invariant baryon chiral perturbation theory

NASA Astrophysics Data System (ADS)

Yao, De-Liang

2018-02-01

We calculate the masses and sigma terms of the doubly charmed baryons up to next-to-next-to-next-to-leading order [i.e., O (p4) ] in a covariant baryon chiral perturbation theory by using the extended-on-mass-shell renormalization scheme. Their expressions both in infinite and finite volumes are provided for chiral extrapolation in lattice QCD. As a first application, our chiral results of the masses are confronted with the existing lattice QCD data in the presence of finite-volume corrections. Up to O (p3) , all relevant low-energy constants can be well determined. As a consequence, we obtain the physical values for the masses of Ξc c and Ωc c baryons by extrapolating to the physical limit. Our determination of the Ξc c mass is consistent with the recent experimental value by LHCb Collaboration, however, larger than the one by SELEX Collaboration. In addition, we predict the pion-baryon and strangeness-baryon sigma terms, as well as the mass splitting between the Ξc c and Ωc c states. Their quark mass dependences are also discussed. The numerical procedure can be applied to the chiral results of O (p4) order, where more unknown constants are involved, when more data are available for unphysical pion masses.

Two-component duality and flavoring in the P+f model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dash, J.W.; Jones, S.T.; Martin, A.

We show that modern Regge fits to rising ..pi..N total cross sections sigma/sub piN/ using the Harari-Freund P+f model of diffraction are not consistent with two-component duality. If a conventional Pomeron is chosen (dominant j-plane pole plus weak cuts), the resulting f is ''dual'' to the resonances plus one-half the background. Conversely, constraining the f-pole amplitude by duality does not allow a reasonable fit to sigma/sub piN/. In contrast, the P-f identity model of diffraction is shown to satisfy a modified form of two-component duality. We show that by incorporating flavoring renormalization, the P+f picture can be made consistent withmore » duality. The unflavored P intercept is 0.91 and the flavored P intercept is 1.1. Significant absorptive j-plane cuts are also required, though these are small enough to be consistent with dominant short-range order. Thus flavoring, which is so essential in P-f identity phenomenology, seems to play a positive role in diffraction scattering generally.« less

A new single-particle basis for nuclear many-body calculations

NASA Astrophysics Data System (ADS)

Puddu, G.

2017-10-01

Predominantly, harmonic oscillator single-particle wave functions are the preferred choice for a basis in ab initio nuclear many-body calculations. These wave-functions, although very convenient in order to evaluate the matrix elements of the interaction in the laboratory frame, have too fast a fall-off at large distances. In the past, as an alternative to the harmonic oscillator, other single-particle wave functions have been proposed. In this work, we propose a new single-particle basis, directly linked to nucleon-nucleon interaction. This new basis is orthonormal and complete, has the proper asymptotic behavior at large distances and does not contain the continuum which would pose severe convergence problems in nuclear many body calculations. We consider the newly proposed NNLO-opt nucleon-nucleon interaction, without any renormalization. We show that, unlike other bases, this single-particle representation has a computational cost similar to the harmonic oscillator basis with the same space truncation and it gives lower energies for 6He and 6Li.

Critical behavior and dimension crossover of pion superfluidity

NASA Astrophysics Data System (ADS)

Wang, Ziyue; Zhuang, Pengfei

2016-09-01

We investigate the critical behavior of pion superfluidity in the framework of the functional renormalization group (FRG). By solving the flow equations in the SU(2) linear sigma model at finite temperature and isospin density, and making comparison with the fixed point analysis of a general O (N ) system with continuous dimension, we find that the pion superfluidity is a second order phase transition subject to an O (2 ) universality class with a dimension crossover from dc=4 to dc=3 . This phenomenon provides a concrete example of dimension reduction in thermal field theory. The large-N expansion gives a temperature independent critical exponent β and agrees with the FRG result only at zero temperature.

Computational studies of model disordered and strongly correlated electronic systems

NASA Astrophysics Data System (ADS)

Johri, Sonika

The theory of non-interacting electrons in perfect crystals was completed soon after the advent of quantum mechanics. Though capable of describing electron behaviour in most simple solid state physics systems, this approach falls woefully short of describing condensed matter systems of interest today, and designing the quantum devices of the future. The reason is that nature is never free of disorder, and emergent properties arising from interactions can be clearly seen in the pure, low-dimensional materials that can be engineered today. In this thesis, I address some salient problems in disordered and correlated electronic systems using modern numerical techniques like sparse matrix diagonalization, density matrix renormalization group (DMRG), and large disorder renormalization group (LDRG) methods. The pioneering work of P. W. Anderson, in 1958, led to an understanding of how an electron can stop diffusing and become localized in a region of space when a crystal is sufficiently disordered. Thus disorder can lead to metal-insulator transitions, for instance, in doped semiconductors. Theoretical research on the Anderson disorder model since then has mostly focused on the localization-delocalization phase transition. The localized phase in itself was not thought to exhibit any interesting physics. Our work has uncovered a new singularity in the disorder-averaged inverse participation ratio of wavefunctions within the localized phase, arising from resonant states. The effects of system size, dimension and disorder distribution on the singularity have been studied. A novel wavefunction-based LDRG technique has been designed for the Anderson model which captures the singular behaviour. While localization is well established for a single electron in a disordered potential, the situation is less clear in the case of many interacting particles. Most studies of a many-body localized phase are restricted to a system which is isolated from its environment. Such a condition cannot be achieved perfectly in experiments. A chapter of this thesis is devoted to studying signatures of incomplete localization in a disordered system with interacting particles which is coupled to a bath. . Strongly interacting particles can also give rise to topological phases of matter that have exotic emergent properties, such as quasiparticles with fractional charges and anyonic, or perhaps even non-Abelian statistics. In addition to their intrinsic novelty, these particles (e.g. Majorana fermions) may be the building blocks of future quantum computers. The third part of my thesis focuses on the best experimentally known realizations of such systems - the fractional quantum Hall effect (FQHE) which occurs in two-dimensional electron gases in a strong perpendicular magnetic field. It has been observed in systems such as semiconductor heterostructures and, more recently, graphene. I have developed software for exact diagonalization of the many-body FQHE problem on the surface of a cylinder, a hitherto unstudied type of geometry. This geometry turns out to be optimal for the DMRG algorithm. Using this new geometry, I have studied properties of various fractionally-filled states, computing the overlap between exact ground states and model wavefunctions, their edge excitations, and entanglement spectra. I have calculated the sizes and tunneling amplitudes of quasiparticles, information which is needed to design the interferometers used to experimentally measure their Aharanov-Bohm phase. I have also designed numerical probes of the recently discovered geometric degree of freedom of FQHE states.

Hadron-collider limits on new electroweak interactions from the heterotic string

DOE Office of Scientific and Technical Information (OSTI.GOV)

del Aguila, F.; Moreno, J.M.; Quiros, M.

1990-01-01

We evaluate the {ital Z}{prime}{r arrow}{ital l}{sup +}l{sup {minus}} cross section at present and future hadron colliders, for the minimal (E{sub 6}) extended electroweak models inspired by superstrings (including renormalization effects on new gauge couplings and new mixing angles). Popular models are discussed for comparison. Analytical expressions for the bounds on the mass of a new gauge boson, {ital M}{sub {ital Z}{prime}}, as a function of the bound on the ratio {ital R}{equivalent to}{sigma}({ital Z}{prime}){ital B}(Z{prime}{r arrow}l{sup +}{ital l}{sup {minus}})/{sigma}({ital Z}){ital B} ({ital Z}{r arrow}{ital l}{sup +}{ital l}{sup {minus}}), are given for the CERN S{ital p {bar p}}S, Fermilab Teva-more » tron, Serpukhov UNK, CERN Large Hadron Collider, and Superconducting Super Collider for the different models. In particular, the {ital M}{sub {ital Z}{prime}} bounds from the present {ital R} limit at CERN, as well as from the eventually available {ital R} limits at Fermilab and at the future hadron colliders (after three months of running at the expected luminosity), are given explicitly.« less

Two-dimensional Anderson-Hubbard model in the DMFT + {Sigma} approximation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuchinskii, E. Z., E-mail: kuchinsk@iep.uran.ru; Kuleeva, N. A.; Nekrasov, I. A.

The density of states, the dynamic (optical) conductivity, and the phase diagram of the paramagnetic two-dimensional Anderson-Hubbard model with strong correlations and disorder are analyzed within the generalized dynamical mean field theory (DMFT + {Sigma} approximation). Strong correlations are accounted by the DMFT, while disorder is taken into account via the appropriate generalization of the self-consistent theory of localization. We consider the two-dimensional system with the rectangular 'bare' density of states (DOS). The DMFT effective single-impurity problem is solved by numerical renormalization group (NRG). The 'correlated metal,' Mott insulator, and correlated Anderson insulator phases are identified from the evolution ofmore » the density of states, optical conductivity, and localization length, demonstrating both Mott-Hubbard and Anderson metal-insulator transitions in two-dimensional systems of finite size, allowing us to construct the complete zero-temperature phase diagram of the paramagnetic Anderson-Hubbard model. The localization length in our approximation is practically independent of the strength of Hubbard correlations. But the divergence of the localization length in a finite-size two-dimensional system at small disorder signifies the existence of an effective Anderson transition.« less

Phases of unstable conifolds

DOE Office of Scientific and Technical Information (OSTI.GOV)

Narayan, K.

2007-03-15

We explore the phase structure induced by closed string tachyon condensation of toric nonsupersymmetric conifold-like singularities described by an integral charge matrix Q=(n{sub 1}n{sub 2}-n{sub 3}-n{sub 4}), n{sub i}>0, iQ{sub i}{ne}0, initiated by Narayan [J. High Energy Phys. 03 (2006) 036]. Using gauged linear sigma model renormalization group flows and toric geometry techniques, we see a cascadelike phase structure containing decays to lower order conifold-like singularities, including, in particular, the supersymmetric conifold and the Y{sup pq} spaces. This structure is consistent with the Type II GSO projection obtained previously for these singularities. Transitions between the various phases of these geometriesmore » include flips and flops.« less

Symmetric functions and wavefunctions of XXZ-type six-vertex models and elliptic Felderhof models by Izergin-Korepin analysis

NASA Astrophysics Data System (ADS)

Motegi, Kohei

2018-05-01

We present a method to analyze the wavefunctions of six-vertex models by extending the Izergin-Korepin analysis originally developed for domain wall boundary partition functions. First, we apply the method to the case of the basic wavefunctions of the XXZ-type six-vertex model. By giving the Izergin-Korepin characterization of the wavefunctions, we show that these wavefunctions can be expressed as multiparameter deformations of the quantum group deformed Grothendieck polynomials. As a second example, we show that the Izergin-Korepin analysis is effective for analysis of the wavefunctions for a triangular boundary and present the explicit forms of the symmetric functions representing these wavefunctions. As a third example, we apply the method to the elliptic Felderhof model which is a face-type version and an elliptic extension of the trigonometric Felderhof model. We show that the wavefunctions can be expressed as one-parameter deformations of an elliptic analog of the Vandermonde determinant and elliptic symmetric functions.

Spin orbit coupling for molecular ab initio density matrix renormalization group calculations: Application to g-tensors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roemelt, Michael, E-mail: michael.roemelt@theochem.rub.de

Spin Orbit Coupling (SOC) is introduced to molecular ab initio density matrix renormalization group (DMRG) calculations. In the presented scheme, one first approximates the electronic ground state and a number of excited states of the Born-Oppenheimer (BO) Hamiltonian with the aid of the DMRG algorithm. Owing to the spin-adaptation of the algorithm, the total spin S is a good quantum number for these states. After the non-relativistic DMRG calculation is finished, all magnetic sublevels of the calculated states are constructed explicitly, and the SOC operator is expanded in the resulting basis. To this end, spin orbit coupled energies and wavefunctionsmore » are obtained as eigenvalues and eigenfunctions of the full Hamiltonian matrix which is composed of the SOC operator matrix and the BO Hamiltonian matrix. This treatment corresponds to a quasi-degenerate perturbation theory approach and can be regarded as the molecular equivalent to atomic Russell-Saunders coupling. For the evaluation of SOC matrix elements, the full Breit-Pauli SOC Hamiltonian is approximated by the widely used spin-orbit mean field operator. This operator allows for an efficient use of the second quantized triplet replacement operators that are readily generated during the non-relativistic DMRG algorithm, together with the Wigner-Eckart theorem. With a set of spin-orbit coupled wavefunctions at hand, the molecular g-tensors are calculated following the scheme proposed by Gerloch and McMeeking. It interprets the effective molecular g-values as the slope of the energy difference between the lowest Kramers pair with respect to the strength of the applied magnetic field. Test calculations on a chemically relevant Mo complex demonstrate the capabilities of the presented method.« less

Mesons in strong magnetic fields: (I) General analyses

DOE PAGES

Hattori, Koichi; Kojo, Toru; Su, Nan

2016-03-21

Here, we study properties of neutral and charged mesons in strong magnetic fields |eB| >> Λ 2 QCD with Λ QCD being the QCD renormalization scale. Assuming long-range interactions, we examine magnetic-field dependences of various quantities such as the constituent quark mass, chiral condensate, meson spectra, and meson wavefunctions by analyzing the Schwinger–Dyson and Bethe–Salpeter equations. Based on the density of states obtained from these analyses, we extend the hadron resonance gas (HRG) model to investigate thermodynamics at large B. As B increases the meson energy behaves as a slowly growing function of the meson's transverse momenta, and thus amore » large number of meson states is accommodated in the low energy domain; the density of states at low temperature is proportional to B 2. This extended transverse phase space in the infrared regime significantly enhances the HRG pressure at finite temperature, so that the system reaches the percolation or chiral restoration regime at lower temperature compared to the case without a magnetic field; this simple picture would offer a gauge invariant and intuitive explanation of the inverse magnetic catalysis.« less

Ground-state properties of anyons in a one-dimensional lattice

NASA Astrophysics Data System (ADS)

Tang, Guixin; Eggert, Sebastian; Pelster, Axel

2015-12-01

Using the Anyon-Hubbard Hamiltonian, we analyze the ground-state properties of anyons in a one-dimensional lattice. To this end we map the hopping dynamics of correlated anyons to an occupation-dependent hopping Bose-Hubbard model using the fractional Jordan-Wigner transformation. In particular, we calculate the quasi-momentum distribution of anyons, which interpolates between Bose-Einstein and Fermi-Dirac statistics. Analytically, we apply a modified Gutzwiller mean-field approach, which goes beyond a classical one by including the influence of the fractional phase of anyons within the many-body wavefunction. Numerically, we use the density-matrix renormalization group by relying on the ansatz of matrix product states. As a result it turns out that the anyonic quasi-momentum distribution reveals both a peak-shift and an asymmetry which mainly originates from the nonlocal string property. In addition, we determine the corresponding quasi-momentum distribution of the Jordan-Wigner transformed bosons, where, in contrast to the hard-core case, we also observe an asymmetry for the soft-core case, which strongly depends on the particle number density.

Site-occupation embedding theory using Bethe ansatz local density approximations

NASA Astrophysics Data System (ADS)

Senjean, Bruno; Nakatani, Naoki; Tsuchiizu, Masahisa; Fromager, Emmanuel

2018-06-01

Site-occupation embedding theory (SOET) is an alternative formulation of density functional theory (DFT) for model Hamiltonians where the fully interacting Hubbard problem is mapped, in principle exactly, onto an impurity-interacting (rather than a noninteracting) one. It provides a rigorous framework for combining wave-function (or Green function)-based methods with DFT. In this work, exact expressions for the per-site energy and double occupation of the uniform Hubbard model are derived in the context of SOET. As readily seen from these derivations, the so-called bath contribution to the per-site correlation energy is, in addition to the latter, the key density functional quantity to model in SOET. Various approximations based on Bethe ansatz and perturbative solutions to the Hubbard and single-impurity Anderson models are constructed and tested on a one-dimensional ring. The self-consistent calculation of the embedded impurity wave function has been performed with the density-matrix renormalization group method. It has been shown that promising results are obtained in specific regimes of correlation and density. Possible further developments have been proposed in order to provide reliable embedding functionals and potentials.

Novel Quantum Criticality in Two Dimensional Topological Phase transitions

PubMed Central

Cho, Gil Young; Moon, Eun-Gook

2016-01-01

Topological quantum phase transitions intrinsically intertwine self-similarity and topology of many-electron wave-functions, and divining them is one of the most significant ways to advance understanding in condensed matter physics. Our focus is to investigate an unconventional class of the transitions between insulators and Dirac semimetals whose description is beyond conventional pseudo relativistic Dirac Hamiltonian. At the transition without the long-range Coulomb interaction, the electronic energy dispersion along one direction behaves like a relativistic particle, linear in momentum, but along the other direction it behaves like a non-relativistic particle, quadratic in momentum. Various physical systems ranging from TiO2-VO2 heterostructure to organic material α-(BEDT-TTF)2I3 under pressure have been proposed to have such anisotropic dispersion relation. Here, we discover a novel quantum criticality at the phase transition by incorporating the long range Coulomb interaction. Unique interplay between the Coulomb interaction and electronic critical modes enforces not only the anisotropic renormalization of the Coulomb interaction but also marginally modified electronic excitation. In connection with experiments, we investigate several striking effects in physical observables of our novel criticality. PMID:26791803

Target space pseudoduality in supersymmetric sigma models on symmetric spaces

NASA Astrophysics Data System (ADS)

Sarisaman, Mustafa

We discuss the target space pseudoduality in supersymmetric sigma models on symmetric spaces. We first consider the case where sigma models based on real compact connected Lie groups of the same dimensionality and give examples using three dimensional models on target spaces. We show explicit construction of nonlocal conserved currents on the pseudodual manifold. We then switch the Lie group valued pseudoduality equations to Lie algebra valued ones, which leads to an infinite number of pseudoduality equations. We obtain an infinite number of conserved currents on the tangent bundle of the pseudo-dual manifold. Since pseudoduality imposes the condition that sigma models pseudodual to each other are based on symmetric spaces with opposite curvatures (i.e. dual symmetric spaces), we investigate pseudoduality transformation on the symmetric space sigma models in the third chapter. We see that there can be mixing of decomposed spaces with each other, which leads to mixings of the following expressions. We obtain the pseudodual conserved currents which are viewed as the orthonormal frame on the pullback bundle of the tangent space of G˜ which is the Lie group on which the pseudodual model based. Hence we obtain the mixing forms of curvature relations and one loop renormalization group beta function by means of these currents. In chapter four, we generalize the classical construction of pseudoduality transformation to supersymmetric case. We perform this both by component expansion method on manifold M and by orthonormal coframe method on manifold SO( M). The component method produces the result that pseudoduality transformation is not invertible at all points and occurs from all points on one manifold to only one point where riemann normal coordinates valid on the second manifold. Torsion of the sigma model on M must vanish while it is nonvanishing on M˜, and curvatures of the manifolds must be constant and the same because of anticommuting grassmann numbers. We obtain the similar results with the classical case in orthonormal coframe method. In case of super WZW sigma models pseudoduality equations result in three different pseudoduality conditions; flat space, chiral and antichiral pseudoduality. Finally we study the pseudoduality transformations on symmetric spaces using two different methods again. These two methods yield similar results to the classical cases with the exception that commuting bracket relations in classical case turns out to be anticommuting ones because of the appearance of grassmann numbers. It is understood that constraint relations in case of non-mixing pseudoduality are the remnants of mixing pseudoduality. Once mixing terms are included in the pseudoduality the constraint relations disappear.

The Light-Front Schrödinger Equation and Determination of the Perturbative QCD Scale from Color Confinement

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, Stanley J.; de Teramond, Guy F.; Deur, Alexandre P.

2015-09-01

The valence Fock-state wavefunctions of the light-front QCD Hamiltonian satisfy a relativistic equation of motion with an effective confining potential U which systematically incorporates the effects of higher quark and gluon Fock states. If one requires that the effective action which underlies the QCD Lagrangian remains conformally invariant and extends the formalism of de Alfaro, Fubini and Furlan to light front Hamiltonian theory, the potential U has a unique form of a harmonic oscillator potential, and a mass gap arises. The result is a nonperturbative relativistic light-front quantum mechanical wave equation which incorporates color confinement and other essential spectroscopic andmore » dynamical features of hadron physics, including a massless pion for zero quark mass and linear Regge trajectories with the same slope in the radial quantum number n and orbital angular momentum L. Only one mass parameter κ appears. Light-front holography thus provides a precise relation between the bound-state amplitudes in the fifth dimension of AdS space and the boost-invariant light-front wavefunctions describing the internal structure of hadrons in physical space-time. We also show how the mass scale κ underlying confinement and hadron masses determines the scale Λ {ovr MS} controlling the evolution of the perturbative QCD coupling. The relation between scales is obtained by matching the nonperturbative dynamics, as described by an effective conformal theory mapped to the light-front and its embedding in AdS space, to the perturbative QCD regime computed to four-loop order. The result is an effective coupling defined at all momenta. The predicted value Λ {ovr MS}=0.328±0.034 GeV is in agreement with the world average 0.339±0.010 GeV. The analysis applies to any renormalization scheme.« less

A MOLECULAR STAR FORMATION LAW IN THE ATOMIC-GAS-DOMINATED REGIME IN NEARBY GALAXIES

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schruba, Andreas; Walter, Fabian; Dumas, Gaelle

2011-08-15

We use the IRAM HERACLES survey to study CO emission from 33 nearby spiral galaxies down to very low intensities. Using 21 cm line atomic hydrogen (H I) data, mostly from THINGS, we predict the local mean CO velocity based on the mean H I velocity. By re-normalizing the CO velocity axis so that zero corresponds to the local mean H I velocity we are able to stack spectra coherently over large regions. This enables us to measure CO intensities with high significance as low as I{sub CO} {approx} 0.3 K km s{sup -1} ({Sigma}{sub H{sub 2}}{approx}1 M{sub sun} pc{supmore » -2}), an improvement of about one order of magnitude over previous studies. We detect CO out to galactocentric radii r{sub gal} {approx} r{sub 25} and find the CO radial profile to follow a remarkably uniform exponential decline with a scale length of {approx}0.2 r{sub 25}. Here we focus on stacking as a function of radius, comparing our sensitive CO profiles to matched profiles of H I, H{alpha}, far-UV (FUV), and Infrared (IR) emission at 24 {mu}m and 70 {mu}m. We observe a tight, roughly linear relationship between CO and IR intensity that does not show any notable break between regions that are dominated by molecular gas ({Sigma}{sub H{sub 2}}>{Sigma}{sub H{sub i}}) and those dominated by atomic gas ({Sigma}{sub H{sub 2}}<{Sigma}{sub H{sub i}}). We use combinations of FUV+24 {mu}m and H{alpha}+24 {mu}m to estimate the recent star formation rate (SFR) surface density, {Sigma}{sub SFR}, and find approximately linear relations between {Sigma}{sub SFR} and {Sigma}{sub H{sub 2}}. We interpret this as evidence of stars forming in molecular gas with little dependence on the local total gas surface density. While galaxies display small internal variations in the SFR-to-H{sub 2} ratio, we do observe systematic galaxy-to-galaxy variations. These galaxy-to-galaxy variations dominate the scatter in relationships between CO and SFR tracers measured at large scales. The variations have the sense that less massive galaxies exhibit larger ratios of SFR-to-CO than massive galaxies. Unlike the SFR-to-CO ratio, the balance between atomic and molecular gas depends strongly on the total gas surface density and galactocentric radius. It must also depend on additional parameters. Our results reinforce and extend to lower surface densities, a picture in which star formation in galaxies can be separated into two processes: the assembly of star-forming molecular clouds and the formation of stars from H{sub 2}. The interplay between these processes yields a total gas-SFR relation with a changing slope, which has previously been observed and identified as a star formation threshold.« less

Generalized description of few-electron quantum dots at zero and nonzero magnetic fields

NASA Astrophysics Data System (ADS)

Ciftja, Orion

2007-01-01

We introduce a generalized ground state variational wavefunction for parabolically confined two-dimensional quantum dots that equally applies to both cases of weak (or zero) and strong magnetic field. The wavefunction has a Laughlin-like form in the limit of infinite magnetic field, but transforms into a Jastrow-Slater wavefunction at zero magnetic field. At intermediate magnetic fields (where a fraction of electrons is spin-reversed) it resembles Halperin's spin-reversed wavefunction for the fractional quantum Hall effect. The properties of this variational wavefunction are illustrated for the case of two-dimensional quantum dot helium (a system of two interacting electrons in a parabolic confinement potential) where we find the description to be an excellent representation of the true ground state for the whole range of magnetic fields.

Influence of single particle orbital sets and configuration selection on multideterminant wavefunctions in quantum Monte Carlo

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clay, Raymond C.; Lawrence Livermore National Laboratory, 7000 East Avenue, Livermore, California 94550; Morales, Miguel A., E-mail: moralessilva2@llnl.gov

2015-06-21

Multideterminant wavefunctions, while having a long history in quantum chemistry, are increasingly being used in highly accurate quantum Monte Carlo calculations. Since the accuracy of QMC is ultimately limited by the quality of the trial wavefunction, multi-Slater determinants wavefunctions offer an attractive alternative to Slater-Jastrow and more sophisticated wavefunction ansatz for several reasons. They can be efficiently calculated, straightforwardly optimized, and systematically improved by increasing the number of included determinants. In spite of their potential, however, the convergence properties of multi-Slater determinant wavefunctions with respect to orbital set choice and excited determinant selection are poorly understood, which hinders the applicationmore » of these wavefunctions to large systems and solids. In this paper, by performing QMC calculations on the equilibrium and stretched carbon dimer, we find that convergence of the recovered correlation energy with respect to number of determinants can depend quite strongly on basis set and determinant selection methods, especially where there is strong correlation. We demonstrate that properly chosen orbital sets and determinant selection techniques from quantum chemistry methods can dramatically reduce the required number of determinants (and thus the computational cost) to reach a given accuracy, which we argue shows clear need for an automatic QMC-only method for selecting determinants and generating optimal orbital sets.« less

Inclusion of trial functions in the Langevin equation path integral ground state method: Application to parahydrogen clusters and their isotopologues

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmidt, Matthew; Constable, Steve; Ing, Christopher

2014-06-21

We developed and studied the implementation of trial wavefunctions in the newly proposed Langevin equation Path Integral Ground State (LePIGS) method [S. Constable, M. Schmidt, C. Ing, T. Zeng, and P.-N. Roy, J. Phys. Chem. A 117, 7461 (2013)]. The LePIGS method is based on the Path Integral Ground State (PIGS) formalism combined with Path Integral Molecular Dynamics sampling using a Langevin equation based sampling of the canonical distribution. This LePIGS method originally incorporated a trivial trial wavefunction, ψ{sub T}, equal to unity. The present paper assesses the effectiveness of three different trial wavefunctions on three isotopes of hydrogen formore » cluster sizes N = 4, 8, and 13. The trial wavefunctions of interest are the unity trial wavefunction used in the original LePIGS work, a Jastrow trial wavefunction that includes correlations due to hard-core repulsions, and a normal mode trial wavefunction that includes information on the equilibrium geometry. Based on this analysis, we opt for the Jastrow wavefunction to calculate energetic and structural properties for parahydrogen, orthodeuterium, and paratritium clusters of size N = 4 − 19, 33. Energetic and structural properties are obtained and compared to earlier work based on Monte Carlo PIGS simulations to study the accuracy of the proposed approach. The new results for paratritium clusters will serve as benchmark for future studies. This paper provides a detailed, yet general method for optimizing the necessary parameters required for the study of the ground state of a large variety of systems.« less

Treatment of Ion-Atom Collisions Using a Partial-Wave Expansion of the Projectile Wavefunction

ERIC Educational Resources Information Center

Wong, T. G.; Foster, M.; Colgan, J.; Madison, D. H.

2009-01-01

We present calculations of ion-atom collisions using a partial-wave expansion of the projectile wavefunction. Most calculations of ion-atom collisions have typically used classical or plane-wave approximations for the projectile wavefunction, since partial-wave expansions are expected to require prohibitively large numbers of terms to converge…

Novel QCD Phenomenology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins

2011-08-12

I review a number of topics where conventional wisdom in hadron physics has been challenged. For example, hadrons can be produced at large transverse momentum directly within a hard higher-twist QCD subprocess, rather than from jet fragmentation. Such 'direct' processes can explain the deviations from perturbative QCD predictions in measurements of inclusive hadron cross sections at fixed x{sub T} = 2p{sub T}/{radical}s, as well as the 'baryon anomaly', the anomalously large proton-to-pion ratio seen in high centrality heavy ion collisions. Initial-state and final-state interactions of the struck quark, the soft-gluon rescattering associated with its Wilson line, lead to Bjorken-scaling single-spinmore » asymmetries, diffractive deep inelastic scattering, the breakdown of the Lam-Tung relation in Drell-Yan reactions, as well as nuclear shadowing and antishadowing. The Gribov-Glauber theory predicts that antishadowing of nuclear structure functions is not universal, but instead depends on the flavor quantum numbers of each quark and antiquark, thus explaining the anomalous nuclear dependence measured in deep-inelastic neutrino scattering. Since shadowing and antishadowing arise from the physics of leading-twist diffractive deep inelastic scattering, one cannot attribute such phenomena to the structure of the nucleus itself. It is thus important to distinguish 'static' structure functions, the probability distributions computed from the square of the target light-front wavefunctions, versus 'dynamical' structure functions which include the effects of the final-state rescattering of the struck quark. The importance of the J = 0 photon-quark QCD contact interaction in deeply virtual Compton scattering is also emphasized. The scheme-independent BLM method for setting the renormalization scale is discussed. Eliminating the renormalization scale ambiguity greatly improves the precision of QCD predictions and increases the sensitivity of searches for new physics at the LHC. Other novel features of QCD are discussed, including the consequences of confinement for quark and gluon condensates.« less

Interplay between short-range correlated disorder and Coulomb interaction in nodal-line semimetals

NASA Astrophysics Data System (ADS)

Wang, Yuxuan; Nandkishore, Rahul M.

2017-09-01

In nodal-line semimetals, Coulomb interactions and short-range correlated disorder are both marginal perturbations to the clean noninteracting Hamiltonian. We analyze their interplay using a weak-coupling renormalization group approach. In the clean case, the Coulomb interaction has been found to be marginally irrelevant, leading to Fermi liquid behavior. We extend the analysis to incorporate the effects of disorder. The nodal line structure gives rise to kinematical constraints similar to that for a two-dimensional Fermi surface, which plays a crucial role in the one-loop renormalization of the disorder couplings. For a twofold degenerate nodal loop (Weyl loop), we show that disorder flows to strong coupling along a unique fixed trajectory in the space of symmetry inequivalent disorder couplings. Along this fixed trajectory, all symmetry inequivalent disorder strengths become equal. For a fourfold degenerate nodal loop (Dirac loop), disorder also flows to strong coupling, however, the strengths of symmetry inequivalent disorder couplings remain different. We show that feedback from disorder reverses the sign of the beta function for the Coulomb interaction, causing the Coulomb interaction to flow to strong coupling as well. However, the Coulomb interaction flows to strong coupling asymptotically more slowly than disorder. Extrapolating our results to strong coupling, we conjecture that at low energies nodal line semimetals should be described by a noninteracting nonlinear sigma model. We discuss the relation of our results with possible many-body localization at zero temperatures in such materials.

Mott-Hubbard transition and Anderson localization: A generalized dynamical mean-field theory approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kuchinskii, E. Z.; Nekrasov, I. A.; Sadovskii, M. V.

The DOS, the dynamic (optical) conductivity, and the phase diagram of a strongly correlated and strongly disordered paramagnetic Anderson-Hubbard model are analyzed within the generalized dynamical mean field theory (DMFT + {sigma} approximation). Strong correlations are taken into account by the DMFT, and disorder is taken into account via an appropriate generalization of the self-consistent theory of localization. The DMFT effective single-impurity problem is solved by a numerical renormalization group (NRG); we consider the three-dimensional system with a semielliptic DOS. The correlated metal, Mott insulator, and correlated Anderson insulator phases are identified via the evolution of the DOS and dynamicmore » conductivity, demonstrating both the Mott-Hubbard and Anderson metal-insulator transition and allowing the construction of the complete zero-temperature phase diagram of the Anderson-Hubbard model. Rather unusual is the possibility of a disorder-induced Mott insulator-to-metal transition.« less

Independent bases on the spatial wavefunction of four-identical-particle systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xiao, Shuyuan; Deng, Zhixuan; Chen, Hong

2013-12-15

We construct the independent bases on the spatial wavefunction of four-identical-particle systems classified under the rotational group SO(3) and the permutation group S{sub 4} with the usage of transformation coefficients that relate wavefunctions described in one set of internal coordinates with those in another. The basis functions for N⩽ 2 are presented in the explicit expressions based on the harmonic oscillator model. Such independent bases are supposed to play a key role in the construction of the wavefunctions of the five-quark states and the variation calculation of four-body systems. Our prescription avoids the spurious states and can be programmed formore » arbitrary N.« less

Late-time structure of the Bunch-Davies FRW wavefunction

NASA Astrophysics Data System (ADS)

Konstantinidis, George; Mahajan, Raghu; Shaghoulian, Edgar

2016-10-01

In this short note we organize a perturbation theory for the Bunch-Davies wavefunction in flat, accelerating cosmologies. The calculational technique avoids the in-in formalism and instead uses an analytic continuation from Euclidean signature. We will consider both massless and conformally coupled self-interacting scalars. These calculations explicitly illustrate two facts. The first is that IR divergences get sharper as the acceleration slows. The second is that UV-divergent contact terms in the Euclidean computation can contribute to the absolute value of the wavefunction in Lorentzian signature. Here UV divergent refers to terms involving inverse powers of the radial cutoff in the Euclidean computation. In Lorentzian signature such terms encode physical time dependence of the wavefunction.

State orthogonality, boson bunching parameter and bosonic enhancement factor

NASA Astrophysics Data System (ADS)

Marchewka, Avi; Granot, Er'el

2016-04-01

It is emphasized that the bunching parameter β ≡ p B / p D , i.e. the ratio between the probability to measure two bosons and two distinguishable particles at the same state, is a constant of motion and depends only on the overlap between the initial wavefunctions. This ratio is equal to β = 2 / (1 + I 2), where I is the overlap integral between the initial wavefunctions. That is, only when the initial wavefunctions are orthogonal this ratio is equal to 2, however, this bunching ratio can be reduced to 1, when the two wavefunctions are identical. This simple equation explains the experimental evidences of a beam splitter. A straightforward conclusion is that by measuring the local bunching parameter β (at any point in space and time) it is possible to evaluate a global parameter I (the overlap between the initial wavefunctions). The bunching parameter is then generalized to arbitrary number of particles, and in an analogy to the two-particles scenario, the well-known bosonic enhancement appears only when all states are orthogonal.

How quantum are non-negative wavefunctions?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hastings, M. B.

2016-01-15

We consider wavefunctions which are non-negative in some tensor product basis. We study what possible teleportation can occur in such wavefunctions, giving a complete answer in some cases (when one system is a qubit) and partial answers elsewhere. We use this to show that a one-dimensional wavefunction which is non-negative and has zero correlation length can be written in a “coherent Gibbs state” form, as explained later. We conjecture that such holds in higher dimensions. Additionally, some results are provided on possible teleportation in general wavefunctions, explaining how Schmidt coefficients before measurement limit the possible Schmidt coefficients after measurement, andmore » on the absence of a “generalized area law” [D. Aharonov et al., in Proceedings of Foundations of Computer Science (FOCS) (IEEE, 2014), p. 246; e-print arXiv.org:1410.0951] even for Hamiltonians with no sign problem. One of the motivations for this work is an attempt to prove a conjecture about ground state wavefunctions which have an “intrinsic” sign problem that cannot be removed by any quantum circuit. We show a weaker version of this, showing that the sign problem is intrinsic for commuting Hamiltonians in the same phase as the double semion model under the technical assumption that TQO-2 holds [S. Bravyi et al., J. Math. Phys. 51, 093512 (2010)].« less

Theoretical study of hyperfine coupling constants and electron spin g factors for X2Σ diatomics from Groups 1 and 2

NASA Astrophysics Data System (ADS)

Bruna, Pablo J.; Grein, Friedrich

The ESR parameters of the cations Be 2 + , Mg 2 + , Ca 2 + , BeMg + , BeCa + , MgCa + and the mixed radicals ZBe, ZMg, ZCa (Z = Li, Na, K), all having a X 2 Σu + (1 σg 2 1 σu )/X 2 Sigma + (1 σ2 2 σ) ground state, have been studied theoretically. The A iso and A dip constants have been calculated with UHF, CISD, MP2, B3LYP, PW91PW91 wavefunctions, and 6-311+G(2df) basis sets. The electron spin g factors (magnetic moment μs) have been evaluated from correlated (MRDCI) wavefunctions, using a Hamiltonian based on Breit-Pauli theory with perturbation expansions up to second order, and 6-311+ G(2d) basis sets. As expected for s-rich radicals, the hyperfine spectra are governed by the A iso terms. Both Δg|| and Δg Υ̂values are negative, but Δg|| lies close to zero. For Δg Υ̂, the coupling with 1 2 Π(u) dominates the sum-over-states expansions. Although the singly occupied MOs (SOMO) are mostly of s character, the | Δg Υ̂| are relatively large, up to 5200 ppm for cationic, and up to 7850 ppm for neutral radicals. These large values are caused by low excitation energies and high magnetic transition moments, the latter due to the fact that the σ*( s - s ) SOMO has the same nodal properties as a p σorbital. Of the radicals considered here, an ESR spectrum is available only for Mg2+. Our theoretical A iso of-287 MHz reproduces well the matrix result (-291 MHz). Calculated values of-10 ppm for Deltag|| and of-1280 ppm for Deltag Υ̂give an average < Δg> =-860 ppm that lies within the experimental range of-600( ±300) ppm in Ne, and of-1300( ±500) ppm in Ar matrices.

Stochastic multi-reference perturbation theory with application to the linearized coupled cluster method

NASA Astrophysics Data System (ADS)

Jeanmairet, Guillaume; Sharma, Sandeep; Alavi, Ali

2017-01-01

In this article we report a stochastic evaluation of the recently proposed multireference linearized coupled cluster theory [S. Sharma and A. Alavi, J. Chem. Phys. 143, 102815 (2015)]. In this method, both the zeroth-order and first-order wavefunctions are sampled stochastically by propagating simultaneously two populations of signed walkers. The sampling of the zeroth-order wavefunction follows a set of stochastic processes identical to the one used in the full configuration interaction quantum Monte Carlo (FCIQMC) method. To sample the first-order wavefunction, the usual FCIQMC algorithm is augmented with a source term that spawns walkers in the sampled first-order wavefunction from the zeroth-order wavefunction. The second-order energy is also computed stochastically but requires no additional overhead outside of the added cost of sampling the first-order wavefunction. This fully stochastic method opens up the possibility of simultaneously treating large active spaces to account for static correlation and recovering the dynamical correlation using perturbation theory. The method is used to study a few benchmark systems including the carbon dimer and aromatic molecules. We have computed the singlet-triplet gaps of benzene and m-xylylene. For m-xylylene, which has proved difficult for standard complete active space self consistent field theory with perturbative correction, we find the singlet-triplet gap to be in good agreement with the experimental values.

Renormalization shielding effect on the Wannier-ridge mode for double-electron continua in partially ionized dense hydrogen plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Myoung-Jae; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr; Department of Physics, Applied Physics, and Astronomy, Rensselaer Polytechnic Institute, 110 8th Street, Troy, New York 12180-3590

2016-01-15

The influence of renormalization shielding on the Wannier threshold law for the double-electron escapes by the electron-impact ionization is investigated in partially ionized dense plasmas. The renormalized electron charge and Wannier exponent are obtained by considering the equation of motion in the Wannier-ridge including the renormalization shielding effect. It is found that the renormalization shielding effect reduces the magnitude of effective electron charge, especially, within the Bohr radius in partially ionized dense plasmas. The maximum position of the renormalized electron charge approaches to the center of the target atom with an increase of the renormalization parameter. In addition, the Wanniermore » exponent increases with an increase of the renormalization parameter. The variations of the renormalized electron charge and Wannier exponent due to the renormalization shielding effect are also discussed.« less

Quasiparticle Aggregation in the Fractional Quantum Hall Effect

DOE R&D Accomplishments Database

Laughlin, R. B.

1984-10-10

Quasiparticles in the Fractional Quantum Hall Effect behave qualitatively like electrons confined to the lowest landau level, and can do everything electrons can do, including condense into second generation Fractional Quantum Hall ground states. I review in this paper the reasoning leading to variational wavefunctions for ground state and quasiparticles in the 1/3 effect. I then show how two-quasiparticle eigenstates are uniquely determined from symmetry, and how this leads in a natural way to variational wavefunctions for composite states which have the correct densities (2/5, 2/7, ...). I show in the process that the boson, anyon and fermion representations for the quasiparticles used by Haldane, Halperin, and me are all equivalent. I demonstrate a simple way to derive Halperin`s multiple-valued quasiparticle wavefunction from the correct single-valued electron wavefunction. (auth)

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory.

PubMed

Stoyanova, Alexandrina; Teale, Andrew M; Toulouse, Julien; Helgaker, Trygve; Fromager, Emmanuel

2013-10-07

The alternative separation of exchange and correlation energies proposed by Toulouse et al. [Theor. Chem. Acc. 114, 305 (2005)] is explored in the context of multi-configuration range-separated density-functional theory. The new decomposition of the short-range exchange-correlation energy relies on the auxiliary long-range interacting wavefunction rather than the Kohn-Sham (KS) determinant. The advantage, relative to the traditional KS decomposition, is that the wavefunction part of the energy is now computed with the regular (fully interacting) Hamiltonian. One potential drawback is that, because of double counting, the wavefunction used to compute the energy cannot be obtained by minimizing the energy expression with respect to the wavefunction parameters. The problem is overcome by using short-range optimized effective potentials (OEPs). The resulting combination of OEP techniques with wavefunction theory has been investigated in this work, at the Hartree-Fock (HF) and multi-configuration self-consistent-field (MCSCF) levels. In the HF case, an analytical expression for the energy gradient has been derived and implemented. Calculations have been performed within the short-range local density approximation on H2, N2, Li2, and H2O. Significant improvements in binding energies are obtained with the new decomposition of the short-range energy. The importance of optimizing the short-range OEP at the MCSCF level when static correlation becomes significant has also been demonstrated for H2, using a finite-difference gradient. The implementation of the analytical gradient for MCSCF wavefunctions is currently in progress.

Multi-pole orders and Kondo screening: Implications for quantum phase transitions in multipolar heavy-fermion systems

NASA Astrophysics Data System (ADS)

Lai, Hsin-Hua; Nica, Emilian; Si, Qimiao

Motivated by the properties of the heavy-fermion Ce3Pd20Si6 compound which exhibits both antiferro-magnetic (AFM) and antiferro-quadrupolar (AFQ) orders, we study a simplified quantum non-linear sigma model for spin-1 systems, with generalized multi-pole Kondo couplings to conduction electrons. We first consider the case when an SU(3) symmetry relates the spin and quadrupolar channels. We then analyze the effect of breaking the SU(3) symmetry, so that the interaction parameters in the spin and quadrupolar sectors are no longer equivalent, and different stages of Kondo screenings are allowed. A renormalization group analysis is used to analyze the interplay between the Kondo effect and the AFM/AFQ orders. Our work paves the way for understanding the global phase diagram in settings beyond the prototypical spin-1/2 cases. We also discuss similar considerations in the non-Kramers systems such as the heavy fermion compound PrV2Al20

Studying the Perturbed Wess-Zumino-Novikov-Witten SU(2) k Theory Using the Truncated Conformal Spectrum Approach

DOE PAGES

Konik, R. M.; Palmai, T.; Takacs, G.; ...

2015-08-24

We study the SU(2) k Wess-Zumino-Novikov-Witten (WZNW) theory perturbed by the trace of the primary field in the adjoint representation, a theory governing the low-energy behaviour of a class of strongly correlated electronic systems. While the model is non-integrable, its dynamics can be investigated using the numerical technique of the truncated conformal spectrum approach combined with numerical and analytical renormalization groups (TCSA+RG). The numerical results so obtained provide support for a semiclassical analysis valid at k » 1. Namely, we find that the low energy behavior is sensitive to the sign of the coupling constant, λ. Moreover for λ >more » 0 this behavior depends on whether k is even or odd. With k even, we find definitive evidence that the model at low energies is equivalent to the massive O(3) sigma model. For k odd, the numerical evidence is more equivocal, but we find indications that the low energy effective theory is critical.« less

What Density Functional Theory could do for Quantum Information

NASA Astrophysics Data System (ADS)

Mattsson, Ann

2015-03-01

The Hohenberg-Kohn theorem of Density Functional Theory (DFT), and extensions thereof, tells us that all properties of a system of electrons can be determined through their density, which uniquely determines the many-body wave-function. Given access to the appropriate, universal, functionals of the density we would, in theory, be able to determine all observables of any electronic system, without explicit reference to the wave-function. On the other hand, the wave-function is at the core of Quantum Information (QI), with the wave-function of a set of qubits being the central computational resource in a quantum computer. While there is seemingly little overlap between DFT and QI, reliance upon observables form a key connection. Though the time-evolution of the wave-function and associated phase information is fundamental to quantum computation, the initial and final states of a quantum computer are characterized by observables of the system. While observables can be extracted directly from a system's wave-function, DFT tells us that we may be able to intuit a method for extracting them from its density. In this talk, I will review the fundamentals of DFT and how these principles connect to the world of QI. This will range from DFT's utility in the engineering of physical qubits, to the possibility of using it to efficiently (but approximately) simulate Hamiltonians at the logical level. The apparent paradox of describing algorithms based on the quantum mechanical many-body wave-function with a DFT-like theory based on observables will remain a focus throughout. The ultimate goal of this talk is to initiate a dialog about what DFT could do for QI, in theory and in practice. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Late-time structure of the Bunch-Davies de Sitter wavefunction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anninos, Dionysios; Anous, Tarek; Freedman, Daniel Z.

2015-11-30

We examine the late time behavior of the Bunch-Davies wavefunction for interacting light fields in a de Sitter background. We use perturbative techniques developed in the framework of AdS/CFT, and analytically continue to compute tree and loop level contributions to the Bunch-Davies wavefunction. We consider self-interacting scalars of general mass, but focus especially on the massless and conformally coupled cases. We show that certain contributions grow logarithmically in conformal time both at tree and loop level. We also consider gauge fields and gravitons. The four-dimensional Fefferman-Graham expansion of classical asymptotically de Sitter solutions is used to show that the wavefunctionmore » contains no logarithmic growth in the pure graviton sector at tree level. Finally, assuming a holographic relation between the wavefunction and the partition function of a conformal field theory, we interpret the logarithmic growths in the language of conformal field theory.« less

Diagonal Born-Oppenheimer correction for coupled-cluster wave-functions

NASA Astrophysics Data System (ADS)

Shamasundar, K. R.

2018-06-01

We examine how geometry-dependent normalisation freedom of electronic wave-functions affects extraction of a meaningful diagonal Born-Oppenheimer correction (DBOC) to the ground-state Born-Oppenheimer potential energy surface (PES). By viewing this freedom as a kind of gauge-freedom, it is shown that DBOC and the resulting associated mass-dependent adiabatic PES are gauge-invariant quantities. A sum-over-states (SOS) formula for DBOC which explicitly exhibits this invariance is derived. A biorthogonal formulation suitable for DBOC computations using standard unnormalised coupled-cluster (CC) wave-functions is presented. This is shown to lead to a biorthogonal version of SOS formula with similar properties. On this basis, different computational schemes for evaluating DBOC using approximate CC wave-functions are derived. One of this agrees with the formula used in the current literature. The connection to adiabatic-to-diabatic transformations in non-adiabatic dynamics is explored and complications arising from biorthogonal nature of CC theory are identified.

Renormalization Group (RG) in Turbulence: Historical and Comparative Perspective

NASA Technical Reports Server (NTRS)

Zhou, Ye; McComb, W. David; Vahala, George

1997-01-01

The term renormalization and renormalization group are explained by reference to various physical systems. The extension of renormalization group to turbulence is then discussed; first as a comprehensive review and second concentrating on the technical details of a few selected approaches. We conclude with a discussion of the relevance and application of renormalization group to turbulence modelling.

Tensor Network Wavefunctions for Topological Phases

NASA Astrophysics Data System (ADS)

Ware, Brayden Alexander

The combination of quantum effects and interactions in quantum many-body systems can result in exotic phases with fundamentally entangled ground state wavefunctions--topological phases. Topological phases come in two types, both of which will be studied in this thesis. In topologically ordered phases, the pattern of entanglement in the ground state wavefunction encodes the statistics of exotic emergent excitations, a universal indicator of a phase that is robust to all types of perturbations. In symmetry protected topological phases, the entanglement instead encodes a universal response of the system to symmetry defects, an indicator that is robust only to perturbations respecting the protecting symmetry. Finding and creating these phases in physical systems is a motivating challenge that tests all aspects--analytical, numerical, and experimental--of our understanding of the quantum many-body problem. Nearly three decades ago, the creation of simple ansatz wavefunctions--such as the Laughlin fractional quantum hall state, the AKLT state, and the resonating valence bond state--spurred analytical understanding of both the role of entanglement in topological physics and physical mechanisms by which it can arise. However, quantitative understanding of the relevant phase diagrams is still challenging. For this purpose, tensor networks provide a toolbox for systematically improving wavefunction ansatz while still capturing the relevant entanglement properties. In this thesis, we use the tools of entanglement and tensor networks to analyze ansatz states for several proposed new phases. In the first part, we study a featureless phase of bosons on the honeycomb lattice and argue that this phase can be topologically protected under any one of several distinct subsets of the crystalline lattice symmetries. We discuss methods of detecting such phases with entanglement and without. In the second part, we consider the problem of constructing fixed-point wavefunctions for intrinsically fermionic topological phases, i.e. topological phases contructed out of fermions with a nontrivial response to fermion parity defects. A zero correlation length wavefunction and a commuting projector Hamiltonian that realizes this wavefunction as its ground state are constructed. Using an appropriate generalization of the minimally entangled states method for extraction of topological order from the ground states on a torus to the intrinsically fermionic case, we fully characterize the corresponding topological order as Ising x (px - ipy). We argue that this phase can be captured using fermionic tensor networks, expanding the applicability of tensor network methods.

Local renormalization group functions from quantum renormalization group and holographic bulk locality

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nakayama, Yu

Here, the bulk locality in the constructive holographic renormalization group requires miraculous cancellations among various local renormalization group functions. The cancellation is not only from the properties of the spectrum but from more detailed aspects of operator product expansions in relation to conformal anomaly. It is remarkable that one-loop computation of the universal local renormalization group functions in the weakly coupled limit of the N = 4 super Yang-Mills theory fulfils the necessary condition for the cancellation in the strongly coupled limit in its SL(2, Z) duality invariant form. From the consistency between the quantum renormalization group and the holographicmore » renormalization group, we determine some unexplored local renormalization group functions (e.g. diffusive term in the beta function for the gauge coupling constant) in the strongly coupled limit of the planar N = 4 super Yang-Mills theory.« less

Conformal Symmetry as a Template for QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, S

2004-08-04

Conformal symmetry is broken in physical QCD; nevertheless, one can use conformal symmetry as a template, systematically correcting for its nonzero {beta} function as well as higher-twist effects. For example, commensurate scale relations which relate QCD observables to each other, such as the generalized Crewther relation, have no renormalization scale or scheme ambiguity and retain a convergent perturbative structure which reflects the underlying conformal symmetry of the classical theory. The ''conformal correspondence principle'' also dictates the form of the expansion basis for hadronic distribution amplitudes. The AdS/CFT correspondence connecting superstring theory to superconformal gauge theory has important implications for hadronmore » phenomenology in the conformal limit, including an all-orders demonstration of counting rules for hard exclusive processes as well as determining essential aspects of hadronic light-front wavefunctions. Theoretical and phenomenological evidence is now accumulating that QCD couplings based on physical observables such as {tau} decay become constant at small virtuality; i.e., effective charges develop an infrared fixed point in contradiction to the usual assumption of singular growth in the infrared. The near-constant behavior of effective couplings also suggests that QCD can be approximated as a conformal theory even at relatively small momentum transfer. The importance of using an analytic effective charge such as the pinch scheme for unifying the electroweak and strong couplings and forces is also emphasized.« less

Fixed-node diffusion Monte Carlo potential energy curve of the fluorine molecule F{sub 2} using selected configuration interaction trial wavefunctions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giner, Emmanuel; Scemama, Anthony; Caffarel, Michel

2015-01-28

The potential energy curve of the F{sub 2} molecule is calculated with Fixed-Node Diffusion Monte Carlo (FN-DMC) using Configuration Interaction (CI)-type trial wavefunctions. To keep the number of determinants reasonable and thus make FN-DMC calculations feasible in practice, the CI expansion is restricted to those determinants that contribute the most to the total energy. The selection of the determinants is made using the CIPSI approach (Configuration Interaction using a Perturbative Selection made Iteratively). The trial wavefunction used in FN-DMC is directly issued from the deterministic CI program; no Jastrow factor is used and no preliminary multi-parameter stochastic optimization of themore » trial wavefunction is performed. The nodes of CIPSI wavefunctions are found to reduce significantly the fixed-node error and to be systematically improved upon increasing the number of selected determinants. To reduce the non-parallelism error of the potential energy curve, a scheme based on the use of a R-dependent number of determinants is introduced. Using Dunning’s cc-pVDZ basis set, the FN-DMC energy curve of F{sub 2} is found to be of a quality similar to that obtained with full configuration interaction/cc-pVQZ.« less

Natural occupation numbers: when do they vanish?

PubMed

Giesbertz, K J H; van Leeuwen, R

2013-09-14

The non-vanishing of the natural orbital (NO) occupation numbers of the one-particle density matrix of many-body systems has important consequences for the existence of a density matrix-potential mapping for nonlocal potentials in reduced density matrix functional theory and for the validity of the extended Koopmans' theorem. On the basis of Weyl's theorem we give a connection between the differentiability properties of the ground state wavefunction and the rate at which the natural occupations approach zero when ordered as a descending series. We show, in particular, that the presence of a Coulomb cusp in the wavefunction leads, in general, to a power law decay of the natural occupations, whereas infinitely differentiable wavefunctions typically have natural occupations that decay exponentially. We analyze for a number of explicit examples of two-particle systems that in case the wavefunction is non-analytic at its spatial diagonal (for instance, due to the presence of a Coulomb cusp) the natural orbital occupations are non-vanishing. We further derive a more general criterium for the non-vanishing of NO occupations for two-particle wavefunctions with a certain separability structure. On the basis of this criterium we show that for a two-particle system of harmonically confined electrons with a Coulombic interaction (the so-called Hookium) the natural orbital occupations never vanish.

Flux Renormalization in Constant Power Burnup Calculations

DOE PAGES

Isotalo, Aarno E.; Aalto Univ., Otaniemi; Davidson, Gregory G.; ...

2016-06-15

To more accurately represent the desired power in a constant power burnup calculation, the depletion steps of the calculation can be divided into substeps and the neutron flux renormalized on each substep to match the desired power. Here, this paper explores how such renormalization should be performed, how large a difference it makes, and whether using renormalization affects results regarding the relative performance of different neutronics–depletion coupling schemes. When used with older coupling schemes, renormalization can provide a considerable improvement in overall accuracy. With previously published higher order coupling schemes, which are more accurate to begin with, renormalization has amore » much smaller effect. Finally, while renormalization narrows the differences in the accuracies of different coupling schemes, their order of accuracy is not affected.« less

Novel demonstration of the renormalization group invariance of the fixed-order predictions using the principle of maximum conformality and the C -scheme coupling

NASA Astrophysics Data System (ADS)

Wu, Xing-Gang; Shen, Jian-Ming; Du, Bo-Lun; Brodsky, Stanley J.

2018-05-01

As a basic requirement of the renormalization group invariance, any physical observable must be independent of the choice of both the renormalization scheme and the initial renormalization scale. In this paper, we show that by using the newly suggested C -scheme coupling, one can obtain a demonstration that the principle of maximum conformality prediction is scheme-independent to all-orders for any renormalization schemes, thus satisfying all of the conditions of the renormalization group invariance. We illustrate these features for the nonsinglet Adler function and for τ decay to ν + hadrons at the four-loop level.

Non-Perturbative Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1997-02-01

We discuss the renormalization of the lattice formulation of the Heavy Quark Effective Theory (LHQET). In addition to wave function and composite operator renormalizations, on the lattice the classical velocity is also renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. We present results of a new, direct lattice simulation of this finite renormalization, and compare the results to the perturbative (one loop) result. The simulation results are obtained with the use of a variationally optimized heavy-light meson operator, using an ensemble of lattices provided by the Fermilab ACP-MAPS collaboration.

Electrostatic Hellmann-Feynman theorem applied to long-range interatomic forces - The hydrogen molecule.

NASA Technical Reports Server (NTRS)

Steiner, E.

1973-01-01

The use of the electrostatic Hellmann-Feynman theorem for the calculation of the leading term in the 1/R expansion of the force of interaction between two well-separated hydrogen atoms is discussed. Previous work has suggested that whereas this term is determined wholly by the first-order wavefunction when calculated by perturbation theory, the use of the Hellmann-Feynman theorem apparently requires the wavefunction through second order. It is shown how the two results may be reconciled and that the Hellmann-Feynman theorem may be reformulated in such a way that only the first-order wavefunction is required.

Wronskian Method for Bound States

ERIC Educational Resources Information Center

Fernandez, Francisco M.

2011-01-01

We propose a simple and straightforward method based on Wronskians for the calculation of bound-state energies and wavefunctions of one-dimensional quantum-mechanical problems. We explicitly discuss the asymptotic behaviour of the wavefunction and show that the allowed energies make the divergent part vanish. As illustrative examples we consider…

Dimensional regularization in position space and a Forest Formula for Epstein-Glaser renormalization

NASA Astrophysics Data System (ADS)

Dütsch, Michael; Fredenhagen, Klaus; Keller, Kai Johannes; Rejzner, Katarzyna

2014-12-01

We reformulate dimensional regularization as a regularization method in position space and show that it can be used to give a closed expression for the renormalized time-ordered products as solutions to the induction scheme of Epstein-Glaser. This closed expression, which we call the Epstein-Glaser Forest Formula, is analogous to Zimmermann's Forest Formula for BPH renormalization. For scalar fields, the resulting renormalization method is always applicable, we compute several examples. We also analyze the Hopf algebraic aspects of the combinatorics. Our starting point is the Main Theorem of Renormalization of Stora and Popineau and the arising renormalization group as originally defined by Stückelberg and Petermann.

Influence of renormalization shielding on the electron-impact ionization process in dense partially ionized plasmas

DOE Office of Scientific and Technical Information (OSTI.GOV)

Song, Mi-Young; Yoon, Jung-Sik; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

2015-04-15

The renormalization shielding effects on the electron-impact ionization of hydrogen atom are investigated in dense partially ionized plasmas. The effective projectile-target interaction Hamiltonian and the semiclassical trajectory method are employed to obtain the transition amplitude as well as the ionization probability as functions of the impact parameter, the collision energy, and the renormalization parameter. It is found that the renormalization shielding effect suppresses the transition amplitude for the electron-impact ionization process in dense partially ionized plasmas. It is also found that the renormalization effect suppresses the differential ionization cross section in the peak impact parameter region. In addition, it ismore » found that the influence of renormalization shielding on the ionization cross section decreases with an increase of the relative collision energy. The variations of the renormalization shielding effects on the electron-impact ionization cross section are also discussed.« less

Effects of renormalizing the chiral SU(2) quark-meson model

NASA Astrophysics Data System (ADS)

Zacchi, Andreas; Schaffner-Bielich, Jürgen

2018-04-01

We investigate the restoration of chiral symmetry at finite temperature in the SU(2) quark-meson model, where the mean field approximation is compared to the renormalized version for quarks and mesons. In a combined approach at finite temperature, all the renormalized versions show a crossover transition. The inclusion of different renormalization scales leave the order parameter and the mass spectra nearly untouched but strongly influence the thermodynamics at low temperatures and around the phase transition. We find unphysical results for the renormalized version of mesons and the combined one.

Modulating optical polarization properties of Al-rich AlGaN/AlN quantum well by controlling wavefunction overlap

NASA Astrophysics Data System (ADS)

Chen, X. J.; Yu, T. J.; Lu, H. M.; Yuan, G. C.; Shen, B.; Zhang, G. Y.

2013-10-01

Using modified k.p perturbation method, the optical polarization properties of Al-rich AlGaN/AlN quantum wells (QWs) are studied. It is found that change of wavefunction overlaps between conduction band and valance subbands of heavy hole, light hole, and crystal-field split off hole is different. Such difference leads to the overturn of polarization degree and modulates optical polarization properties as well width and strain vary. This prompts that changing wavefunction overlaps of electron and hole can lead to a way to modulate optical polarization properties of Al-rich AlGaN/AlN QWs, on no condition that valence band order changes.

Deterministic Impulsive Vacuum Foundations for Quantum-Mechanical Wavefunctions

NASA Astrophysics Data System (ADS)

Valentine, John S.

2013-09-01

By assuming that a fermion de-constitutes immediately at source, that its constituents, as bosons, propagate uniformly as scalar vacuum terms with phase (radial) symmetry, and that fermions are unique solutions for specific phase conditions, we find a model that self-quantizes matter from continuous waves, unifying bosons and fermion ontologies in a single basis, in a constitution-invariant process. Vacuum energy has a wavefunction context, as a mass-energy term that enables wave collapse and increases its amplitude, with gravitational field as the gradient of the flux density. Gravitational and charge-based force effects emerge as statistics without special treatment. Confinement, entanglement, vacuum statistics, forces, and wavefunction terms emerge from the model's deterministic foundations.

Fisher zeros and conformality in lattice models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meurice, Yannick; Bazavov, Alexei; Berg, Bernd A.

2012-10-01

Fisher zeros are the zeros of the partition function in the complex beta=2N_c/g^2 plane. When they pinch the real axis, finite size scaling allows one to distinguish between first and second order transition and to estimate exponents. On the other hand, a gap signals confinement and the method can be used to explore the boundary of the conformal window. We present recent numerical results for 2D O(N) sigma models, 4D U(1) and SU(2) pure gauge and SU(3) gauge theory with N_f=4 and 12 flavors. We discuss attempts to understand some of these results using analytical methods. We discuss the 2-latticemore » matching and qualitative aspects of the renormalization group (RG) flows in the Migdal-Kadanoff approximation, in particular how RG flows starting at large beta seem to move around regions where bulk transitions occur. We consider the effects of the boundary conditions on the nonperturbative part of the average energy and on the Fisher zeros for the 1D O(2) model.« less

Assessing notions of denormalization and renormalization of smoking in light of e-cigarette regulation.

PubMed

Sæbø, Gunnar; Scheffels, Janne

2017-11-01

The rationale for 'denormalization' of smoking in tobacco policies has been challenged by the emergence of e-cigarettes and the need to regulate e-cigarette use and promotion. Our aim is to assess the research status on e-cigarettes' contribution to 'renormalization' of smoking and to clarify how renormalization of smoking can be appraised at the conceptual and empirical level. Combining conceptual analysis and narrative review, the paper brings out three dimensions of denormalization/renormalization of smoking ('unacceptability/acceptability'; 'invisibility/visibility'; 'phasing out behaviour/maintaining behaviour') and an inherent duality of the e-cigarette as a smoking-like device and a smoking alternative. These analytical dimensions are applied qualitatively to consider the literature identified by searching the Web of Science database for 'e-cigarettes AND renormalization' (and variants thereof). Theoretically, normative changes in smoking acceptability, increased visibility of e-cigarettes and use, and observations of actual use (prevalence, dual use, gateway) can all be applied to illustrate processes of renormalization. However, only acceptability measures and user measures can be said to be empirical tests of renormalization effects. Visibility measures are only based on logical assumptions of a possible renormalization; they are not in themselves indicative of any "real" renormalization effects and can just as well be understood as possible consequences of normalization of e-cigarettes. Just as a downward trend in smoking prevalence is the litmus test of whether denormalization policy works, stagnating or rising smoking prevalence should be the main empirical indicator of renormalization. Copyright © 2017 Elsevier B.V. All rights reserved.

Simple Approach to Renormalize the Cabibbo-Kobayashi-Maskawa Matrix

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kniehl, Bernd A.; Sirlin, Alberto

2006-12-01

We present an on-shell scheme to renormalize the Cabibbo-Kobayashi-Maskawa (CKM) matrix. It is based on a novel procedure to separate the external-leg mixing corrections into gauge-independent self-mass and gauge-dependent wave function renormalization contributions, and to implement the on-shell renormalization of the former with nondiagonal mass counterterm matrices. Diagonalization of the complete mass matrix leads to an explicit CKM counterterm matrix, which automatically satisfies all the following important properties: it is gauge independent, preserves unitarity, and leads to renormalized amplitudes that are nonsingular in the limit in which any two fermions become mass degenerate.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Horn, Paul R., E-mail: prhorn@berkeley.edu; Mao, Yuezhi; Head-Gordon, Martin, E-mail: mhg@cchem.berkeley.edu

In energy decomposition analysis of Kohn-Sham density functional theory calculations, the so-called frozen (or pre-polarization) interaction energy contains contributions from permanent electrostatics, dispersion, and Pauli repulsion. The standard classical approach to separate them suffers from several well-known limitations. We introduce an alternative scheme that employs valid antisymmetric electronic wavefunctions throughout and is based on the identification of individual fragment contributions to the initial supersystem wavefunction as determined by an energetic optimality criterion. The density deformations identified with individual fragments upon formation of the initial supersystem wavefunction are analyzed along with the distance dependence of the new and classical terms formore » test cases that include the neon dimer, ammonia borane, water-Na{sup +}, water-Cl{sup −}, and the naphthalene dimer.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Gyeong Won; Shim, Jaewon; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

The influence of renormalization plasma screening on the entanglement fidelity for the elastic electron-atom scattering is investigated in partially ionized dense hydrogen plasmas. The partial wave analysis and effective interaction potential are employed to obtain the scattering entanglement fidelity in dense hydrogen plasmas as functions of the collision energy, the Debye length, and the renormalization parameter. It is found that the renormalization plasma shielding enhances the scattering entanglement fidelity. Hence, we show that the transmission of the quantum information can be increased about 10% due to the renormalization shielding effect in dense hydrogen plasmas. It is also found that themore » renormalization shielding effect on the entanglement fidelity for the electron-atom collision increases with an increase of the collision energy. In addition, the renormalization shielding function increases with increasing collision energy and saturates to the unity with an increase of the Debye length.« less

Soft collinear effective theory for heavy WIMP annihilation

DOE PAGES

Bauer, Martin; Cohen, Timothy; Hill, Richard J.; ...

2015-01-19

In a large class of models for Weakly Interacting Massive Particles (WIMPs), the WIMP mass M lies far above the weak scale m W . This work identifies universal Sudakov-type logarithms ~ α log 2(2 M/m W) that spoil the naive convergence of perturbation theory for annihilation processes. An effective field theory (EFT) framework is presented, allowing the systematic resummation of these logarithms. Another impact of the large separation of scales is that a long-distance wavefunction distortion from electroweak boson exchange leads to observable modifications of the cross section. Careful accounting of momentum regions in the EFT allows the rigorousmore » disentanglement of this so-called Sommerfeld enhancement from the short-distance hard annihilation process. In addition, the WIMP is described as a heavy-particle field, while the electroweak gauge bosons are treated as soft and collinear fields. Hard matching coefficients are computed at renormalization scale μ ~ 2 M , then evolved down to μ ~ m W , where electroweak symmetry breaking is incorporated and the matching onto the relevant quantum mechanical Hamiltonian is performed. The example of an SU(2) W triplet scalar dark matter candidate annihilating to line photons is used for concreteness, allowing the numerical exploration of the impact of next-to-leading order corrections and log resummation. As a result, for M ≃ 3 TeV, the resummed Sommerfeld enhanced cross section is reduced by a factor of ~ 3 with respect to the treelevel fixed order result.« less

Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1996-03-01

In the lattice formulation of the Heavy Quark Effective Theory (LHQET), the "classical velocity" v becomes renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. The renormalization is finite and depends on the form of the decretization of the reduced heavy quark Dirac equation. For the Forward Time — Centered Space discretization, the renormalization is computed both perturbatively, to one loop, and non-perturbatively using two ensembles of lattices, one at β = 5.7 and the other at β = 6.1 The estimates agree, and indicate that for small classical velocities, ν→ is reduced by about 25-30%.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study

NASA Astrophysics Data System (ADS)

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-01

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Incorporating nuclear vibrational energies into the "atom in molecules" analysis: An analytical study.

PubMed

Gharabaghi, Masumeh; Shahbazian, Shant

2017-04-21

The quantum theory of atoms in molecules (QTAIM) is based on the clamped nucleus paradigm and solely working with the electronic wavefunctions, so does not include nuclear vibrations in the AIM analysis. On the other hand, the recently extended version of the QTAIM, called the multi-component QTAIM (MC-QTAIM), incorporates both electrons and quantum nuclei, i.e., those nuclei treated as quantum waves instead of clamped point charges, into the AIM analysis using non-adiabatic wavefunctions. Thus, the MC-QTAIM is the natural framework to incorporate the role of nuclear vibrations into the AIM analysis. In this study, within the context of the MC-QTAIM, the formalism of including nuclear vibrational energy in the atomic basin energy is developed in detail and its contribution is derived analytically using the recently proposed non-adiabatic Hartree product nuclear wavefunction. It is demonstrated that within the context of this wavefunction, the quantum nuclei may be conceived pseudo-adiabatically as quantum oscillators and both isotropic harmonic and anisotropic anharmonic oscillator models are used to compute the zero-point nuclear vibrational energy contribution to the basin energies explicitly. Inspired by the results gained within the context of the MC-QTAIM analysis, a heuristic approach is proposed within the context of the QTAIM to include nuclear vibrational energy in the basin energy from the vibrational wavefunction derived adiabatically. The explicit calculation of the basin contribution of the zero-point vibrational energy using the uncoupled harmonic oscillator model leads to results consistent with those derived from the MC-QTAIM.

Renormalization of entanglement entropy from topological terms

NASA Astrophysics Data System (ADS)

Anastasiou, Giorgos; Araya, Ignacio J.; Olea, Rodrigo

2018-05-01

We propose a renormalization scheme for entanglement entropy of three-dimensional CFTs with a four-dimensional asymptotically AdS gravity dual in the context of the gauge/gravity correspondence. The procedure consists in adding the Chern form as a boundary term to the area functional of the Ryu-Takayanagi minimal surface. We provide an explicit prescription for the renormalized entanglement entropy, which is derived via the replica trick. This is achieved by considering a Euclidean gravitational action renormalized by the addition of the Chern form at the spacetime boundary, evaluated in the conically-singular replica manifold. We show that the addition of this boundary term cancels the divergent part of the entanglement entropy, recovering the results obtained by Taylor and Woodhead. We comment on how this prescription for renormalizing the entanglement entropy is in line with the general program of topological renormalization in asymptotically AdS gravity.

Relativistic scattered-wave theory. II - Normalization and symmetrization. [of Dirac wavefunctions

NASA Technical Reports Server (NTRS)

Yang, C. Y.

1978-01-01

Formalisms for normalization and symmetrization of one-electron Dirac scattered-wave wavefunctions are presented. The normalization integral consists of one-dimensional radial integrals for the spherical regions and an analytic expression for the intersphere region. Symmetrization drastically reduces the size of the secular matrix to be solved. Examples for planar Pb2Se2 and tetrahedral Pd4 are discussed.

Determination of many-electron basis functions for a quantum Hall ground state using Schur polynomials

NASA Astrophysics Data System (ADS)

Mandal, Sudhansu S.; Mukherjee, Sutirtha; Ray, Koushik

2018-03-01

A method for determining the ground state of a planar interacting many-electron system in a magnetic field perpendicular to the plane is described. The ground state wave-function is expressed as a linear combination of a set of basis functions. Given only the flux and the number of electrons describing an incompressible state, we use the combinatorics of partitioning the flux among the electrons to derive the basis wave-functions as linear combinations of Schur polynomials. The procedure ensures that the basis wave-functions form representations of the angular momentum algebra. We exemplify the method by deriving the basis functions for the 5/2 quantum Hall state with a few particles. We find that one of the basis functions is precisely the Moore-Read Pfaffian wave function.

Covalent bond orders and atomic valences from correlated wavefunctions

NASA Astrophysics Data System (ADS)

Ángyán, János G.; Rosta, Edina; Surján, Péter R.

1999-01-01

A comparison is made between two alternative definitions for covalent bond orders: one derived from the exchange part of the two-particle density matrix and the other expressed as the correlation of fluctuations (covariance) of the number of electrons between the atomic centers. Although these definitions lead to identical formulae for mono-determinantal SCF wavefunctions, they predict different bond orders for correlated wavefunctions. It is shown that, in this case, the fluctuation-based definition leads to slightly lower values of the bond order than does the exchange-based definition, provided one uses an appropriate space-partitioning technique like that of Bader's topological theory of atoms in a molecule; however, use of Mulliken partitioning in this context leads to unphysical behaviour. The example of H 2 is discussed in detail.

Non-polynomial extensions of solvable potentials à la Abraham-Moses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Odake, Satoru; Sasaki, Ryu; Center for Theoretical Sciences, National Taiwan University, Taipei 10617, Taiwan

2013-10-15

Abraham-Moses transformations, besides Darboux transformations, are well-known procedures to generate extensions of solvable potentials in one-dimensional quantum mechanics. Here we present the explicit forms of infinitely many seed solutions for adding eigenstates at arbitrary real energy through the Abraham-Moses transformations for typical solvable potentials, e.g., the radial oscillator, the Darboux-Pöschl-Teller, and some others. These seed solutions are simple generalisations of the virtual state wavefunctions, which are obtained from the eigenfunctions by discrete symmetries of the potentials. The virtual state wavefunctions have been an essential ingredient for constructing multi-indexed Laguerre and Jacobi polynomials through multiple Darboux-Crum transformations. In contrast to themore » Darboux transformations, the virtual state wavefunctions generate non-polynomial extensions of solvable potentials through the Abraham-Moses transformations.« less

Structural impact on the eigenenergy renormalization for carbon and silicon allotropes and boron nitride polymorphs

NASA Astrophysics Data System (ADS)

Tutchton, Roxanne; Marchbanks, Christopher; Wu, Zhigang

2018-05-01

The phonon-induced renormalization of electronic band structures is investigated through first-principles calculations based on the density functional perturbation theory for nine materials with various crystal symmetries. Our results demonstrate that the magnitude of the zero-point renormalization (ZPR) of the electronic band structure is dependent on both crystal structure and material composition. We have performed analysis of the electron-phonon-coupling-induced renormalization for two silicon (Si) allotropes, three carbon (C) allotropes, and four boron nitride (BN) polymorphs. Phonon dispersions of each material were computed, and our analysis indicates that materials with optical phonons at higher maximum frequencies, such as graphite and hexagonal BN, have larger absolute ZPRs, with the exception of graphene, which has a considerably smaller ZPR despite having phonon frequencies in the same range as graphite. Depending on the structure and material, renormalizations can be comparable to the GW many-body corrections to Kohn-Sham eigenenergies and, thus, need to be considered in electronic structure calculations. The temperature dependence of the renormalizations is also considered, and in all materials, the eigenenergy renormalization at the band gap and around the Fermi level increases with increasing temperature.

Entanglement renormalization and topological order.

PubMed

Aguado, Miguel; Vidal, Guifré

2008-02-22

The multiscale entanglement renormalization ansatz (MERA) is argued to provide a natural description for topological states of matter. The case of Kitaev's toric code is analyzed in detail and shown to possess a remarkably simple MERA description leading to distillation of the topological degrees of freedom at the top of the tensor network. Kitaev states on an infinite lattice are also shown to be a fixed point of the renormalization group flow associated with entanglement renormalization. All of these results generalize to arbitrary quantum double models.

Aspects of Galileon non-renormalization

DOE PAGES

Goon, Garrett; Hinterbichler, Kurt; Joyce, Austin; ...

2016-11-18

We discuss non-renormalization theorems applying to galileon field theories and their generalizations. Galileon theories are similar in many respects to other derivatively coupled effective field theories, including general relativity and P ( X) theories. In particular, these other theories also enjoy versions of non-renormalization theorems that protect certain operators against corrections from self-loops. Furthermore, we argue that the galileons are distinguished by the fact that they are not renormalized even by loops of other heavy fields whose couplings respect the galileon symmetry.

Renormalization-group theory of plasma microturbulence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Carati, D.; Chriaa, K.; Balescu, R.

1994-08-01

The dynamical renormalization-group methods are applied to the gyrokinetic equation describing drift-wave turbulence in plasmas. As in both magnetohydrodynamic and neutral turbulence, small-scale fluctuations appear to act as effective dissipative processes on large-scale phenomena. A linear renormalized gyrokinetic equation is derived. No artificial forcing is introduced into the equations and all the renormalized corrections are expressed in terms of the fluctuating electric potential. The link with the quasilinear limit and the direct interaction approximation is investigated. Simple analytical expressions for the anomalous transport coefficients are derived by using the linear renormalized gyrokinetic equation. Examples show that both quasilinear and Bohmmore » scalings can be recovered depending on the spectral amplitude of the electric potential fluctuations.« less

Comprehensive renormalization group analysis of the littlest seesaw model

NASA Astrophysics Data System (ADS)

Geib, Tanja; King, Stephen F.

2018-04-01

We present a comprehensive renormalization group analysis of the littlest seesaw model involving two right-handed neutrinos and a very constrained Dirac neutrino Yukawa coupling matrix. We perform the first χ2 analysis of the low energy masses and mixing angles, in the presence of renormalization group corrections, for various right-handed neutrino masses and mass orderings, both with and without supersymmetry. We find that the atmospheric angle, which is predicted to be near maximal in the absence of renormalization group corrections, may receive significant corrections for some nonsupersymmetric cases, bringing it into close agreement with the current best fit value in the first octant. By contrast, in the presence of supersymmetry, the renormalization group corrections are relatively small, and the prediction of a near maximal atmospheric mixing angle is maintained, for the studied cases. Forthcoming results from T2K and NO ν A will decisively test these models at a precision comparable to the renormalization group corrections we have calculated.

Femtosecond two-photon photoassociation of hot magnesium atoms: A quantum dynamical study using thermal random phase wavefunctions

NASA Astrophysics Data System (ADS)

Amaran, Saieswari; Kosloff, Ronnie; Tomza, Michał; Skomorowski, Wojciech; Pawłowski, Filip; Moszynski, Robert; Rybak, Leonid; Levin, Liat; Amitay, Zohar; Berglund, J. Martin; Reich, Daniel M.; Koch, Christiane P.

2013-10-01

Two-photon photoassociation of hot magnesium atoms by femtosecond laser pulses, creating electronically excited magnesium dimer molecules, is studied from first principles, combining ab initio quantum chemistry and molecular quantum dynamics. This theoretical framework allows for rationalizing the generation of molecular rovibrational coherence from thermally hot atoms [L. Rybak, S. Amaran, L. Levin, M. Tomza, R. Moszynski, R. Kosloff, C. P. Koch, and Z. Amitay, Phys. Rev. Lett. 107, 273001 (2011)]. Random phase thermal wavefunctions are employed to model the thermal ensemble of hot colliding atoms. Comparing two different choices of basis functions, random phase wavefunctions built from eigenstates are found to have the fastest convergence for the photoassociation yield. The interaction of the colliding atoms with a femtosecond laser pulse is modeled non-perturbatively to account for strong-field effects.

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

Understanding How Isotopes Affect Charge Transfer in P3HT/PCBM: A Quantum Trajectory-Electronic Structure Study with Nonlinear Quantum Corrections

DOE PAGES

Wang, Lei; Jakowski, Jacek; Garashchuk, Sophya; ...

2016-08-09

The experimentally observed effect of selective deuterium substitution on the open circuit voltage for a blend of poly(3-hexylthiophene)(P3HT) and [6,6]-phenyl-C 61- butyric acid methyl ester (PCBM) (Nat. Commun. 5:3180, 2014) is explored using a 221-atom model of a polymer-wrapped PCBM molecule. We describe the protonic and deuteronic wavefunctions for the H/D isotopologues of the hexyl side chains within a Quantum Trajectory/Electronic Structure approach where the dynamics is performed with newly developed nonlinear corrections to the quantum forces, necessary to describe the nuclear wavefunctions; the classical forces are generated with a Density Functional Tight Binding method. We used the resulting protonicmore » and deuteronic time-dependent wavefunctions to assess the effects of isotopic substitution (deuteration) on the energy gaps relevant to the charge transfer for the donor and acceptor electronic states. Furthermore, while the isotope effect on the electronic energy levels is found negligible, the quantum-induced fluctuations of the energy gap between the charge transfer and charge separated states due to nuclear wavefunctions may account for experimental trends by promoting charge transfer in P3HT/PCBM and increasing charge recombination on the donor in the deuterium substituted P3HT/PCBM.« less

The dynamics of a polariton dimer in a disordered coupled array of cavities

NASA Astrophysics Data System (ADS)

Aiyejina, Abuenameh; Andrews, Roger

2018-03-01

We investigate the effect of disorder in the laser intensity on the dynamics of dark-state polaritons in an array of 20 cavities, each containing an ensemble of four-level atoms that is described by a Bose-Hubbard Hamiltonian. We examine the evolution of the polariton number in the cavities starting from a state with either one or two polaritons in one of the cavities. For the case of a single polariton without disorder in the laser intensity, we calculate the wavefunction of the polariton and find that it disperses away from the initial cavity with time. The addition of disorder results in minimal suppression of the dispersal of the wavefunction. In the case of two polaritons with an on-site repulsion to hopping strength ratio of 20, we find that the polaritons form a repulsively bound state or dimer. Without disorder the dimer wavefunction disperses similarly to the single polariton wavefunction but over a longer time period. The addition of sufficiently strong disorder results in localization of the polariton dimer. The localization length is found to be described by a power law with exponent - 1.31. We also find that we can localise the dimer at any given time by switching on the disorder.

Competing Orders and Anomalies

PubMed Central

Moon, Eun-Gook

2016-01-01

A conservation law is one of the most fundamental properties in nature, but a certain class of conservation “laws” could be spoiled by intrinsic quantum mechanical effects, so-called quantum anomalies. Profound properties of the anomalies have deepened our understanding in quantum many body systems. Here, we investigate quantum anomaly effects in quantum phase transitions between competing orders and striking consequences of their presence. We explicitly calculate topological nature of anomalies of non-linear sigma models (NLSMs) with the Wess-Zumino-Witten (WZW) terms. The non-perturbative nature is directly related with the ’t Hooft anomaly matching condition: anomalies are conserved in renormalization group flow. By applying the matching condition, we show massless excitations are enforced by the anomalies in a whole phase diagram in sharp contrast to the case of the Landau-Ginzburg-Wilson theory which only has massive excitations in symmetric phases. Furthermore, we find non-perturbative criteria to characterize quantum phase transitions between competing orders. For example, in 4D, we show the two competing order parameter theories, CP(1) and the NLSM with WZW, describe different universality class. Physical realizations and experimental implication of the anomalies are also discussed. PMID:27499184

Variational Approach to Monte Carlo Renormalization Group

NASA Astrophysics Data System (ADS)

Wu, Yantao; Car, Roberto

2017-12-01

We present a Monte Carlo method for computing the renormalized coupling constants and the critical exponents within renormalization theory. The scheme, which derives from a variational principle, overcomes critical slowing down, by means of a bias potential that renders the coarse grained variables uncorrelated. The two-dimensional Ising model is used to illustrate the method.

Topological terms, AdS2 n gravity, and renormalized entanglement entropy of holographic CFTs

NASA Astrophysics Data System (ADS)

Anastasiou, Giorgos; Araya, Ignacio J.; Olea, Rodrigo

2018-05-01

We extend our topological renormalization scheme for entanglement entropy to holographic CFTs of arbitrary odd dimensions in the context of the AdS /CFT correspondence. The procedure consists in adding the Chern form as a boundary term to the area functional of the Ryu-Takayanagi minimal surface. The renormalized entanglement entropy thus obtained can be rewritten in terms of the Euler characteristic and the AdS curvature of the minimal surface. This prescription considers the use of the replica trick to express the renormalized entanglement entropy in terms of the renormalized gravitational action evaluated on the conically singular replica manifold extended to the bulk. This renormalized action is obtained in turn by adding the Chern form as the counterterm at the boundary of the 2 n -dimensional asymptotically AdS bulk manifold. We explicitly show that, up to next-to-leading order in the holographic radial coordinate, the addition of this boundary term cancels the divergent part of the entanglement entropy. We discuss possible applications of the method for studying CFT parameters like central charges.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms

NASA Astrophysics Data System (ADS)

Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R.

2016-07-01

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

Matrix product operators, matrix product states, and ab initio density matrix renormalization group algorithms.

PubMed

Chan, Garnet Kin-Lic; Keselman, Anna; Nakatani, Naoki; Li, Zhendong; White, Steven R

2016-07-07

Current descriptions of the ab initio density matrix renormalization group (DMRG) algorithm use two superficially different languages: an older language of the renormalization group and renormalized operators, and a more recent language of matrix product states and matrix product operators. The same algorithm can appear dramatically different when written in the two different vocabularies. In this work, we carefully describe the translation between the two languages in several contexts. First, we describe how to efficiently implement the ab initio DMRG sweep using a matrix product operator based code, and the equivalence to the original renormalized operator implementation. Next we describe how to implement the general matrix product operator/matrix product state algebra within a pure renormalized operator-based DMRG code. Finally, we discuss two improvements of the ab initio DMRG sweep algorithm motivated by matrix product operator language: Hamiltonian compression, and a sum over operators representation that allows for perfect computational parallelism. The connections and correspondences described here serve to link the future developments with the past and are important in the efficient implementation of continuing advances in ab initio DMRG and related algorithms.

Renormalization of the inflationary perturbations revisited

NASA Astrophysics Data System (ADS)

Markkanen, Tommi

2018-05-01

In this work we clarify aspects of renormalization on curved backgrounds focussing on the potential ramifications on the amplitude of inflationary perturbations. We provide an alternate view of the often used adiabatic prescription by deriving a correspondence between the adiabatic subtraction terms and traditional renormalization. Specifically, we show how adiabatic subtraction can be expressed as a set of counter terms that are introduced by redefining the bare parameters of the action. Our representation of adiabatic subtraction then allows us to easily find other renormalization prescriptions differing only in the finite parts of the counter terms. As our main result, we present for quadratic inflation how one may consistently express the renormalization of the spectrum of perturbations from inflation as a redefinition of the bare cosmological constant and Planck mass such that the observable predictions coincide with the unrenormalized result.

Lower bounds to energies for cusped-gaussian wavefunctions. [hydrogen atom ground state

NASA Technical Reports Server (NTRS)

Eaves, J. O.; Walsh, B. C.; Steiner, E.

1974-01-01

Calculations for the ground states of H, He, and Be, conducted by Steiner and Sykes (1972), show that the inclusion of a very small number of cusp functions can lead to a substantial enhancement of the quality of the Gaussian basis used in molecular wavefunction computations. The properties of the cusped-Gaussian basis are investigated by a calculation of lower bounds concerning the ground state energy of the hydrogen atom.

Kinetic energy partition method applied to ground state helium-like atoms.

PubMed

Chen, Yu-Hsin; Chao, Sheng D

2017-03-28

We have used the recently developed kinetic energy partition (KEP) method to solve the quantum eigenvalue problems for helium-like atoms and obtain precise ground state energies and wave-functions. The key to treating properly the electron-electron (repulsive) Coulomb potential energies for the KEP method to be applied is to introduce a "negative mass" term into the partitioned kinetic energy. A Hartree-like product wave-function from the subsystem wave-functions is used to form the initial trial function, and the variational search for the optimized adiabatic parameters leads to a precise ground state energy. This new approach sheds new light on the all-important problem of solving many-electron Schrödinger equations and hopefully opens a new way to predictive quantum chemistry. The results presented here give very promising evidence that an effective one-electron model can be used to represent a many-electron system, in the spirit of density functional theory.

Current matrix element in HAL QCD's wavefunction-equivalent potential method

NASA Astrophysics Data System (ADS)

Watanabe, Kai; Ishii, Noriyoshi

2018-04-01

We give a formula to calculate a matrix element of a conserved current in the effective quantum mechanics defined by the wavefunction-equivalent potentials proposed by the HAL QCD collaboration. As a first step, a non-relativistic field theory with two-channel coupling is considered as the original theory, with which a wavefunction-equivalent HAL QCD potential is obtained in a closed analytic form. The external field method is used to derive the formula by demanding that the result should agree with the original theory. With this formula, the matrix element is obtained by sandwiching the effective current operator between the left and right eigenfunctions of the effective Hamiltonian associated with the HAL QCD potential. In addition to the naive one-body current, the effective current operator contains an additional two-body term emerging from the degrees of freedom which has been integrated out.

Direct determination of exciton wavefunction amplitudes by the momentum-resolved photo-electron emission experiment

NASA Astrophysics Data System (ADS)

Ohnishi, Hiromasa; Tomita, Norikazu; Nasu, Keiichiro

2018-03-01

We study conceptional problems of a photo-electron emission (PEE) process from a free exciton in insulating crystals. In this PEE process, only the electron constituting the exciton is suddenly emitted out of the crystal, while the hole constituting the exciton is still left inside and forced to be recoiled back to its original valence band. This recoil on the hole is surely reflected in the spectrum of the PEE with a statistical distribution along the momentum-energy curve of the valence band. This distribution is nothing but the square of the exciton wavefunction amplitude, since it shows how the electron and the hole are originally bound together. Thus, the momentum-resolved PEE can directly determine the exciton wavefunction. These problems are clarified, taking the Γ and the saddle point excitons in GaAs, as typical examples. New PEE experiments are also suggested.

Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch

2015-12-14

We introduce an intramolecular energy decomposition scheme for analyzing non-covalent interactions within molecules in the spirit of symmetry-adapted perturbation theory (SAPT). The proposed intra-SAPT approach is based upon the Chemical Hamiltonian of Mayer [Int. J. Quantum Chem. 23(2), 341–363 (1983)] and the recently introduced zeroth-order wavefunction [J. F. Gonthier and C. Corminboeuf, J. Chem. Phys. 140(15), 154107 (2014)]. The scheme decomposes the interaction energy between weakly bound fragments located within the same molecule into physically meaningful components, i.e., electrostatic-exchange, induction, and dispersion. Here, we discuss the key steps of the approach and demonstrate that a single-determinant wavefunction can already delivermore » a detailed and insightful description of a wide range of intramolecular non-covalent phenomena such as hydrogen bonds, dihydrogen contacts, and π − π stacking interactions. Intra-SAPT is also used to shed the light on competing intra- and intermolecular interactions.« less

Minimally doubled fermions at one loop

NASA Astrophysics Data System (ADS)

Capitani, Stefano; Weber, Johannes; Wittig, Hartmut

2009-10-01

Minimally doubled fermions have been proposed as a cost-effective realization of chiral symmetry at non-zero lattice spacing. Using lattice perturbation theory at one loop, we study their renormalization properties. Specifically, we investigate the consequences of the breaking of hyper-cubic symmetry, which is a typical feature of this class of fermionic discretizations. Our results for the quark self-energy indicate that the four-momentum undergoes a renormalization which is linearly divergent. We also compute renormalization factors for quark bilinears, construct the conserved vector and axial-vector currents and verify that at one loop the renormalization factors of the latter are equal to one.

Renormalization-group theory for the eddy viscosity in subgrid modeling

NASA Technical Reports Server (NTRS)

Zhou, YE; Vahala, George; Hossain, Murshed

1988-01-01

Renormalization-group theory is applied to incompressible three-dimensional Navier-Stokes turbulence so as to eliminate unresolvable small scales. The renormalized Navier-Stokes equation now includes a triple nonlinearity with the eddy viscosity exhibiting a mild cusp behavior, in qualitative agreement with the test-field model results of Kraichnan. For the cusp behavior to arise, not only is the triple nonlinearity necessary but the effects of pressure must be incorporated in the triple term. The renormalized eddy viscosity will not exhibit a cusp behavior if it is assumed that a spectral gap exists between the large and small scales.

Temperature and frequency dependent mean free paths of renormalized phonons in nonlinear lattices

NASA Astrophysics Data System (ADS)

Li, Nianbei; Liu, Junjie; Wu, Changqin; Li, Baowen

2018-02-01

Unraveling general properties of renormalized phonons are of fundamental relevance to the heat transport in the regime of strong nonlinearity. In this work, we directly study the temperature and frequency dependent mean free path (MFP) of renormalized phonons with the newly developed numerical tuning fork method. The typical 1D nonlinear lattices such as Fermi-Pasta-Ulam β lattice and {φ }4 lattice are investigated in detail. Interestingly, it is found that the MFPs are inversely proportional to the frequencies of renormalized phonons rather than the square of phonon frequencies predicted by existing phonon scattering theory.

Complete one-loop renormalization of the Higgs-electroweak chiral Lagrangian

NASA Astrophysics Data System (ADS)

Buchalla, G.; Catà, O.; Celis, A.; Knecht, M.; Krause, C.

2018-03-01

Employing background-field method and super-heat-kernel expansion, we compute the complete one-loop renormalization of the electroweak chiral Lagrangian with a light Higgs boson. Earlier results from purely scalar fluctuations are confirmed as a special case. We also recover the one-loop renormalization of the conventional Standard Model in the appropriate limit.

Renormalization Group Invariance of the Pole Mass in the Multi-Higgs System

NASA Astrophysics Data System (ADS)

Kim, Chungku

2018-06-01

We have investigated the renormalization group running of the pole mass in the multi-Higgs theory in two different types of gauge fixing conditions. The pole mass, when expressed in terms of the Lagrangian parameters, turns out to be invariant under the renormalization group with the beta and gamma functions of the symmetric phase.

Nonperturbative renormalization group study of the stochastic Navier-Stokes equation.

PubMed

Mejía-Monasterio, Carlos; Muratore-Ginanneschi, Paolo

2012-07-01

We study the renormalization group flow of the average action of the stochastic Navier-Stokes equation with power-law forcing. Using Galilean invariance, we introduce a nonperturbative approximation adapted to the zero-frequency sector of the theory in the parametric range of the Hölder exponent 4-2ε of the forcing where real-space local interactions are relevant. In any spatial dimension d, we observe the convergence of the resulting renormalization group flow to a unique fixed point which yields a kinetic energy spectrum scaling in agreement with canonical dimension analysis. Kolmogorov's -5/3 law is, thus, recovered for ε = 2 as also predicted by perturbative renormalization. At variance with the perturbative prediction, the -5/3 law emerges in the presence of a saturation in the ε dependence of the scaling dimension of the eddy diffusivity at ε = 3/2 when, according to perturbative renormalization, the velocity field becomes infrared relevant.

Effect of electron-phonon coupling on energy and density of states renormalizations of dynamically screened graphene

NASA Astrophysics Data System (ADS)

Leblanc, J. P. F.; Carbotte, J. P.; Nicol, E. J.

2012-02-01

Motivated by recent tunneling and angle-resolved photoemission (ARPES) work [1,2], we explore the combined effect of electron-electron and electron-phonon couplings on the renormalized energy dispersion, the spectral function, and the density of states of doped graphene. We find that the plasmarons seen in ARPES are also observable in the density of states and appear as structures with quadratic dependence on energy about the minima. Further, we illustrate how knowledge of the slopes of both the density of states and the renormalized dispersion near the Fermi level can allow for the separation of momentum and frequency dependent renormalizations to the Fermi velocity. This analysis should allow for the isolation of the renormalization due to the electron-phonon interaction from that of the electron-electron interaction. [4pt] [1] Brar et al. Phys. Rev. Lett. 104, 036805 (2010) [2] Bostwick et al. Science 328, p.999 (2010)

Renormalization of QCD in the interpolating momentum subtraction scheme at three loops

NASA Astrophysics Data System (ADS)

Gracey, J. A.; Simms, R. M.

2018-04-01

We introduce a more general set of kinematic renormalization schemes than the original momentum subtraction schemes of Celmaster and Gonsalves. These new schemes will depend on a parameter ω , which tags the external momentum of one of the legs of the three-point vertex functions in QCD. In each of the three new schemes, we renormalize QCD in the Landau and maximal Abelian gauges and establish the three-loop renormalization group functions in each gauge. For an application, we evaluate two critical exponents at the Banks-Zaks fixed point and demonstrate that their values appear to be numerically scheme independent in a subrange of the conformal window.

Phenomenological Study of Interaction between Solar Acoustic Waves and Sunspots from Measured Scattered Wavefunctions

NASA Astrophysics Data System (ADS)

Yang, Ming-Hsu; Chou, Dean-Yi; Zhao, Hui; Liang, Zhi-Chao

2012-08-01

The solar acoustic waves around a sunspot are modified because of the interaction with the sunspot. The interaction can be viewed as that the sunspot, excited by the incident wave, generates the scattered wave, and the scattered wave is added to the incident wave to form the total wave around the sunspot. We define an interaction parameter, which could be complex, describing the interaction between the acoustic waves and the sunspot. The scattered wavefunction on the surface can be expressed as a two-dimensional integral of the product of the Green's function, the wavefunction, and the two-dimensional interaction parameter over the sunspot area for the Born approximation of different orders. We assume a simple model for the two-dimensional interaction parameter distribution: its absolute value is axisymmetric with a Gaussian distribution and its phase is a constant. The measured scattered wavefunctions of various modes for NOAAs 11084 and 11092 are fitted to the theoretical scattered wavefunctions to determine the three model parameters, magnitude, Gaussian radius, and phase, for the Born approximation of different orders. The three model parameters converge to some values at high-order Born approximations. The result of the first-order Born approximation is significantly different from the convergent value in some cases. The rate of convergence depends on the sunspot size and wavelength. It converges more rapidly for the smaller sunspot and longer wavelength. The magnitude increases with mode frequency and degree for each radial order. The Gaussian radius is insensitive to frequency and degree. The spatial range of the interaction parameter is greater than that of the continuum intensity deficit, but smaller than that of the acoustic power deficit of the sunspot. The phase versus phase speed falls into a small range. This suggests that the phase could be a function phase speed. NOAAs 11084 and 11092 have a similar magnitude and phase, although the ratio of their sizes is 0.75.

Classification and asymptotic scaling of the light-cone wave-function amplitudes of hadrons

DOE PAGES

Ji, Xiangdong; Ma, Jian-Ping; Yuan, Feng

2004-01-29

Here we classify the hadron light-cone wave-function amplitudes in terms of parton helicity, orbital angular momentum, and quark-flavor and color symmetries. We show in detail how this is done for the pion, ρ meson, nucleon, and delta resonance up to and including three partons. For the pion and nucleon, we also consider four-parton amplitudes. Using the scaling law derived previously, we show how these amplitudes scale in the limit that all parton transverse momenta become large.

Excited state TBA and renormalized TCSA in the scaling Potts model

NASA Astrophysics Data System (ADS)

Lencsés, M.; Takács, G.

2014-09-01

We consider the field theory describing the scaling limit of the Potts quantum spin chain using a combination of two approaches. The first is the renormalized truncated conformal space approach (TCSA), while the second one is a new thermodynamic Bethe Ansatz (TBA) system for the excited state spectrum in finite volume. For the TCSA we investigate and clarify several aspects of the renormalization procedure and counter term construction. The TBA system is first verified by comparing its ultraviolet limit to conformal field theory and the infrared limit to exact S matrix predictions. We then show that the TBA and the renormalized TCSA match each other to a very high precision for a large range of the volume parameter, providing both a further verification of the TBA system and a demonstration of the efficiency of the TCSA renormalization procedure. We also discuss the lessons learned from our results concerning recent developments regarding the low-energy scattering of quasi-particles in the quantum Potts spin chain.

Threshold and flavor effects in the renormalization group equations of the MSSM: Dimensionless couplings

NASA Astrophysics Data System (ADS)

Box, Andrew D.; Tata, Xerxes

2008-03-01

In a theory with broken supersymmetry, gaugino couplings renormalize differently from gauge couplings, as do higgsino couplings from Higgs boson couplings. As a result, we expect the gauge (Higgs boson) couplings and the corresponding gaugino (higgsino) couplings to evolve to different values under renormalization group evolution. We reexamine the renormalization group equations (RGEs) for these couplings in the minimal supersymmetric standard model (MSSM). To include threshold effects, we calculate the β functions using a sequence of (nonsupersymmetric) effective theories with heavy particles decoupled at the scale of their mass. We find that the difference between the SM couplings and their SUSY cousins that is ignored in the literature may be larger than two-loop effects which are included, and further that renormalization group evolution induces a nontrivial flavor structure in gaugino interactions. We present here the coupled set of RGEs for these dimensionless gauge and Yukawa-type couplings. The RGEs for the dimensionful soft-supersymmetry-breaking parameters of the MSSM will be presented in a companion paper.

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

DOE PAGES

Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas; ...

2018-06-13

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

Convergence of quasiparticle self-consistent GW calculations of transition metal monoxides

NASA Astrophysics Data System (ADS)

Das, Suvadip; Coulter, John E.; Manousakis, Efstratios

2015-03-01

We have investigated the electronic structure of the transition metal monoxides MnO, CoO, and NiO in their undistorted rock-salt structure within a fully iterated quasiparticle self-consistent GW (QPscGW) scheme. We have studied the convergence of the QPscGW method, i.e., how the quasiparticle energy eigenvalues and wavefunctions converge as a function of the QPscGW iterations, and compared the converged outputs obtained from different starting wavefunctions. We found that the convergence is slow and that a one-shot G0W0 calculation does not significantly improve the initial eigenvalues and states. In some cases the ``path'' to convergence may go through energy band reordering which cannot be captured by the simple initial unperturbed Hamiltonian. When a fully iterated solution is reached, the converged density of states, band-gaps and magnetic moments of these oxides are found to be only weakly dependent on the choice of the starting wavefunctions and in reasonable agreement with the experiment. National High Magnetic Field Laboratory.

Solving Quantum Ground-State Problems with Nuclear Magnetic Resonance

PubMed Central

Li, Zhaokai; Yung, Man-Hong; Chen, Hongwei; Lu, Dawei; Whitfield, James D.; Peng, Xinhua; Aspuru-Guzik, Alán; Du, Jiangfeng

2011-01-01

Quantum ground-state problems are computationally hard problems for general many-body Hamiltonians; there is no classical or quantum algorithm known to be able to solve them efficiently. Nevertheless, if a trial wavefunction approximating the ground state is available, as often happens for many problems in physics and chemistry, a quantum computer could employ this trial wavefunction to project the ground state by means of the phase estimation algorithm (PEA). We performed an experimental realization of this idea by implementing a variational-wavefunction approach to solve the ground-state problem of the Heisenberg spin model with an NMR quantum simulator. Our iterative phase estimation procedure yields a high accuracy for the eigenenergies (to the 10−5 decimal digit). The ground-state fidelity was distilled to be more than 80%, and the singlet-to-triplet switching near the critical field is reliably captured. This result shows that quantum simulators can better leverage classical trial wave functions than classical computers PMID:22355607

Coherent exciton-vibrational dynamics and energy transfer in conjugated organics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Nelson, Tammie R.; Ondarse-Alvarez, Dianelys; Oldani, Nicolas

Coherence, signifying concurrent electron-vibrational dynamics in complex natural and man-made systems, is currently a subject of intense study. Understanding this phenomenon is important when designing carrier transport in optoelectronic materials. Here, excited state dynamics simulations reveal a ubiquitous pattern in the evolution of photoexcitations for a broad range of molecular systems. Symmetries of the wavefunctions define a specific form of the non-adiabatic coupling that drives quantum transitions between excited states, leading to a collective asymmetric vibrational excitation coupled to the electronic system. This promotes periodic oscillatory evolution of the wavefunctions, preserving specific phase and amplitude relations across the ensemble ofmore » trajectories. The simple model proposed here explains the appearance of coherent exciton-vibrational dynamics due to non-adiabatic transitions, which is universal across multiple molecular systems. The observed relationships between electronic wavefunctions and the resulting functionalities allows us to understand, and potentially manipulate, excited state dynamics and energy transfer in molecular materials.« less

A complex guided spectral transform Lanczos method for studying quantum resonance states

DOE PAGES

Yu, Hua-Gen

2014-12-28

A complex guided spectral transform Lanczos (cGSTL) algorithm is proposed to compute both bound and resonance states including energies, widths and wavefunctions. The algorithm comprises of two layers of complex-symmetric Lanczos iterations. A short inner layer iteration produces a set of complex formally orthogonal Lanczos (cFOL) polynomials. They are used to span the guided spectral transform function determined by a retarded Green operator. An outer layer iteration is then carried out with the transform function to compute the eigen-pairs of the system. The guided spectral transform function is designed to have the same wavefunctions as the eigenstates of the originalmore » Hamiltonian in the spectral range of interest. Therefore the energies and/or widths of bound or resonance states can be easily computed with their wavefunctions or by using a root-searching method from the guided spectral transform surface. The new cGSTL algorithm is applied to bound and resonance states of HO₂, and compared to previous calculations.« less

Short-time quantum dynamics of sharp boundaries potentials

NASA Astrophysics Data System (ADS)

Granot, Er'el; Marchewka, Avi

2015-02-01

Despite the high prevalence of singular potential in general, and rectangular potentials in particular, in applied scattering models, to date little is known about their short time effects. The reason is that singular potentials cause a mixture of complicated local as well as non-local effects. The object of this work is to derive a generic method to calculate analytically the short-time impact of any singular potential. In this paper it is shown that the scattering of a smooth wavefunction on a singular potential is totally equivalent, in the short-time regime, to the free propagation of a singular wavefunction. However, the latter problem was totally addressed analytically in Ref. [7]. Therefore, this equivalency can be utilized in solving analytically the short time dynamics of any smooth wavefunction at the presence of a singular potentials. In particular, with this method the short-time dynamics of any problem where a sharp boundaries potential (e.g., a rectangular barrier) is turned on instantaneously can easily be solved analytically.

Products of composite operators in the exact renormalization group formalism

NASA Astrophysics Data System (ADS)

Pagani, C.; Sonoda, H.

2018-02-01

We discuss a general method of constructing the products of composite operators using the exact renormalization group formalism. Considering mainly the Wilson action at a generic fixed point of the renormalization group, we give an argument for the validity of short-distance expansions of operator products. We show how to compute the expansion coefficients by solving differential equations, and test our method with some simple examples.

Noncommutative Jackiw-Pi model: One-loop renormalization

NASA Astrophysics Data System (ADS)

Bufalo, R.; Ghasemkhani, M.; Alipour, M.

2018-06-01

In this paper, we study the quantum behavior of the noncommutative Jackiw-Pi model. After establishing the Becchi-Rouet-Store-Tyutin (BRST) invariant action, the perturbative renormalizability is discussed, allowing us to introduce the renormalized mass and gauge coupling. We then proceed to compute the one-loop correction to the basic 1PI functions, necessary to determine the renormalized parameters (mass and charge), next we discuss the physical behavior of these parameters.

Functional Renormalization Group Flows on Friedman-Lemaître-Robertson-Walker backgrounds

NASA Astrophysics Data System (ADS)

Platania, Alessia; Saueressig, Frank

2018-06-01

We revisit the construction of the gravitational functional renormalization group equation tailored to the Arnowitt-Deser-Misner formulation emphasizing its connection to the covariant formulation. The results obtained from projecting the renormalization group flow onto the Einstein-Hilbert action are reviewed in detail and we provide a novel example illustrating how the formalism may be connected to the causal dynamical triangulations approach to quantum gravity.

Renormalization group approach to power-law modeling of complex metabolic networks.

PubMed

Hernández-Bermejo, Benito

2010-08-07

In the modeling of complex biological systems, and especially in the framework of the description of metabolic pathways, the use of power-law models (such as S-systems and GMA systems) often provides a remarkable accuracy over several orders of magnitude in concentrations, an unusually broad range not fully understood at present. In order to provide additional insight in this sense, this article is devoted to the renormalization group analysis of reactions in fractal or self-similar media. In particular, the renormalization group methodology is applied to the investigation of how rate-laws describing such reactions are transformed when the geometric scale is changed. The precise purpose of such analysis is to investigate whether or not power-law rate-laws present some remarkable features accounting for the successes of power-law modeling. As we shall see, according to the renormalization group point of view the answer is positive, as far as power-laws are the critical solutions of the renormalization group transformation, namely power-law rate-laws are the renormalization group invariant solutions. Moreover, it is shown that these results also imply invariance under the group of concentration scalings, thus accounting for the reported power-law model accuracy over several orders of magnitude in metabolite concentrations. Copyright 2010 Elsevier Ltd. All rights reserved.

Degeneracy relations in QCD and the equivalence of two systematic all-orders methods for setting the renormalization scale

DOE PAGES

Bi, Huan -Yu; Wu, Xing -Gang; Ma, Yang; ...

2015-06-26

The Principle of Maximum Conformality (PMC) eliminates QCD renormalization scale-setting uncertainties using fundamental renormalization group methods. The resulting scale-fixed pQCD predictions are independent of the choice of renormalization scheme and show rapid convergence. The coefficients of the scale-fixed couplings are identical to the corresponding conformal series with zero β-function. Two all-orders methods for systematically implementing the PMC-scale setting procedure for existing high order calculations are discussed in this article. One implementation is based on the PMC-BLM correspondence (PMC-I); the other, more recent, method (PMC-II) uses the R δ-scheme, a systematic generalization of the minimal subtraction renormalization scheme. Both approaches satisfymore » all of the principles of the renormalization group and lead to scale-fixed and scheme-independent predictions at each finite order. In this work, we show that PMC-I and PMC-II scale-setting methods are in practice equivalent to each other. We illustrate this equivalence for the four-loop calculations of the annihilation ratio R e+e– and the Higgs partial width I'(H→bb¯). Both methods lead to the same resummed (‘conformal’) series up to all orders. The small scale differences between the two approaches are reduced as additional renormalization group {β i}-terms in the pQCD expansion are taken into account. In addition, we show that special degeneracy relations, which underly the equivalence of the two PMC approaches and the resulting conformal features of the pQCD series, are in fact general properties of non-Abelian gauge theory.« less

Transcriptional organization and in vivo role of the Escherichia coli rsd gene, encoding the regulator of RNA polymerase sigma D.

PubMed

Jishage, M; Ishihama, A

1999-06-01

The regulator of sigma D (Rsd) was identified as an RNA polymerase sigma70-associated protein in stationary-phase Escherichia coli with the inhibitory activity of sigma70-dependent transcription in vitro (M. Jishage and A. Ishihama, Proc. Natl. Acad. Sci. USA 95:4953-4958, 1998). Primer extension analysis of rsd mRNA indicated the presence of two promoters, sigmaS-dependent P1 and sigma70-dependent P2 with the gearbox sequence. To get insight into the in vivo role of Rsd, the expression of a reporter gene fused to either the sigma70- or sigmaS-dependent promoter was analyzed in the absence of Rsd or the presence of overexpressed Rsd. In the rsd null mutant, the sigma70- and sigmaS-dependent gene expression was increased or decreased, respectively. On the other hand, the sigma70- or sigmaS-dependent transcription was reduced or enhanced, respectively, after overexpression of Rsd. The repression of the sigmaS-dependent transcription in the rsd mutant is overcome by increased production of the sigmaS subunit. Together these observations support the prediction that Rsd is involved in replacement of the RNA polymerase sigma subunit from sigma70 to sigmaS during the transition from exponential growth to the stationary phase.

Buckling of thermally fluctuating spherical shells: Parameter renormalization and thermally activated barrier crossing

NASA Astrophysics Data System (ADS)

Baumgarten, Lorenz; Kierfeld, Jan

2018-05-01

We study the influence of thermal fluctuations on the buckling behavior of thin elastic capsules with spherical rest shape. Above a critical uniform pressure, an elastic capsule becomes mechanically unstable and spontaneously buckles into a shape with an axisymmetric dimple. Thermal fluctuations affect the buckling instability by two mechanisms. On the one hand, thermal fluctuations can renormalize the capsule's elastic properties and its pressure because of anharmonic couplings between normal displacement modes of different wavelengths. This effectively lowers its critical buckling pressure [Košmrlj and Nelson, Phys. Rev. X 7, 011002 (2017), 10.1103/PhysRevX.7.011002]. On the other hand, buckled shapes are energetically favorable already at pressures below the classical buckling pressure. At these pressures, however, buckling requires to overcome an energy barrier, which only vanishes at the critical buckling pressure. In the presence of thermal fluctuations, the capsule can spontaneously overcome an energy barrier of the order of the thermal energy by thermal activation already at pressures below the critical buckling pressure. We revisit parameter renormalization by thermal fluctuations and formulate a buckling criterion based on scale-dependent renormalized parameters to obtain a temperature-dependent critical buckling pressure. Then we quantify the pressure-dependent energy barrier for buckling below the critical buckling pressure using numerical energy minimization and analytical arguments. This allows us to obtain the temperature-dependent critical pressure for buckling by thermal activation over this energy barrier. Remarkably, both parameter renormalization and thermal activation lead to the same parameter dependence of the critical buckling pressure on temperature, capsule radius and thickness, and Young's modulus. Finally, we study the combined effect of parameter renormalization and thermal activation by using renormalized parameters for the energy barrier in thermal activation to obtain our final result for the temperature-dependent critical pressure, which is significantly below the results if only parameter renormalization or only thermal activation is considered.

Light-Front Holography, Light-Front Wavefunctions, and Novel QCD Phenomena

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brodsky, Stanley J.; /SLAC /Southern Denmark U., CP3-Origins; de Teramond, Guy F.

2012-02-16

Light-Front Holography is one of the most remarkable features of the AdS/CFT correspondence. In spite of its present limitations it provides important physical insights into the nonperturbative regime of QCD and its transition to the perturbative domain. This novel framework allows hadronic amplitudes in a higher dimensional anti-de Sitter (AdS) space to be mapped to frame-independent light-front wavefunctions of hadrons in physical space-time. The model leads to an effective confining light-front QCD Hamiltonian and a single-variable light-front Schroedinger equation which determines the eigenspectrum and the light-front wavefunctions of hadrons for general spin and orbital angular momentum. The coordinate z inmore » AdS space is uniquely identified with a Lorentz-invariant coordinate {zeta} which measures the separation of the constituents within a hadron at equal light-front time and determines the off-shell dynamics of the bound-state wavefunctions, and thus the fall-off as a function of the invariant mass of the constituents. The soft-wall holographic model modified by a positive-sign dilaton metric, leads to a remarkable one-parameter description of nonperturbative hadron dynamics - a semi-classical frame-independent first approximation to the spectra and light-front wavefunctions of meson and baryons. The model predicts a Regge spectrum of linear trajectories with the same slope in the leading orbital angular momentum L of hadrons and the radial quantum number n. The hadron eigensolutions projected on the free Fock basis provides the complete set of valence and non-valence light-front Fock state wavefunctions {Psi}{sub n/H} (x{sub i}, k{sub {perpendicular}i}, {lambda}{sub i}) which describe the hadron's momentum and spin distributions needed to compute the direct measures of hadron structure at the quark and gluon level, such as elastic and transition form factors, distribution amplitudes, structure functions, generalized parton distributions and transverse momentum distributions. The effective confining potential also creates quark-antiquark pairs from the amplitude q {yields} q{bar q}q. Thus in holographic QCD higher Fock states can have any number of extra q{bar q} pairs. We discuss the relevance of higher Fock-states for describing the detailed structure of space and time-like form factors. The AdS/QCD model can be systematically improved by using its complete orthonormal solutions to diagonalize the full QCD light-front Hamiltonian or by applying the Lippmann-Schwinger method in order to systematically include the QCD interaction terms. A new perspective on quark and gluon condensates is also obtained.« less

How the early sporulation sigma factor sigmaF delays the switch to late development in Bacillus subtilis.

PubMed

Karmazyn-Campelli, Céline; Rhayat, Lamya; Carballido-López, Rut; Duperrier, Sandra; Frandsen, Niels; Stragier, Patrick

2008-03-01

Sporulation in Bacillus subtilis is a primitive differentiation process involving two cell types, the forespore and the mother cell. Each cell implements two successive transcription programmes controlled by specific sigma factors. We report that activity of sigma(G), the late forespore sigma factor, is kept in check by Gin, the product of csfB, a gene controlled by sigma(F), the early forespore sigma factor. Gin abolishes sigma(G) transcriptional activity when sigma(G) is artificially synthesized during growth, but has no effect on sigma(F). Gin interacts strongly with sigma(G) but not with sigma(F) in a yeast two-hybrid experiment. The absence of Gin allows sigma(G) to be active during sporulation independently of the mother-cell development to which it is normally coupled. Premature sigma(G) activity leads to the formation of slow-germinating spores, and complete deregulation of sigma(G) synthesis is lethal when combined with gin inactivation. Gin allows sigma(F) to delay the switch to the late forespore transcription programme by preventing sigma(G) to take over before the cell has reached a critical stage of development. A similar strategy, following a completely unrelated route, is used by the mother cell.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rodrigues, Davi C.; Piattella, Oliver F.; Chauvineau, Bertrand, E-mail: davi.rodrigues@cosmo-ufes.org, E-mail: Bertrand.Chauvineau@oca.eu, E-mail: oliver.piattella@pq.cnpq.br

We show that Renormalization Group extensions of the Einstein-Hilbert action for large scale physics are not, in general, a particular case of standard Scalar-Tensor (ST) gravity. We present a new class of ST actions, in which the potential is not necessarily fixed at the action level, and show that this extended ST theory formally contains the Renormalization Group case. We also propose here a Renormalization Group scale setting identification that is explicitly covariant and valid for arbitrary relativistic fluids.

Renormalization in Coulomb-gauge QCD within the Lagrangian formalism

DOE Office of Scientific and Technical Information (OSTI.GOV)

Niegawa, A.

2006-08-15

We study renormalization of Coulomb-gauge QCD within the Lagrangian, second-order, formalism. We derive a Ward identity and the Zinn-Justin equation, and, with the help of the latter, we give a proof of algebraic renormalizability of the theory. Through diagrammatic analysis, we show that, in the strict Coulomb gauge, g{sup 2}D{sup 00} is invariant under renormalization. (D{sup 00} is the time-time component of the gluon propagator.)

Geometry of the theory space in the exact renormalization group formalism

NASA Astrophysics Data System (ADS)

Pagani, C.; Sonoda, H.

2018-01-01

We consider the theory space as a manifold whose coordinates are given by the couplings appearing in the Wilson action. We discuss how to introduce connections on this theory space. A particularly intriguing connection can be defined directly from the solution of the exact renormalization group (ERG) equation. We advocate a geometric viewpoint that lets us define straightforwardly physically relevant quantities invariant under the changes of a renormalization scheme.

A garden of orchids: a generalized Harper equation at quadratic irrational frequencies

NASA Astrophysics Data System (ADS)

Mestel, B. D.; Osbaldestin, A. H.

2004-10-01

We consider a generalized Harper equation at quadratic irrational flux, showing, in the strong coupling limit, the fluctuations of the exponentially decaying eigenfunctions are governed by the dynamics of a renormalization operator on a renormalization strange set. This work generalizes previous analyses which have considered only the golden mean case. Projections of the renormalization strange sets are illustrated analogous to the 'orchid' present in the golden mean case.

Renormalization group independence of Cosmological Attractors

NASA Astrophysics Data System (ADS)

Fumagalli, Jacopo

2017-06-01

The large class of inflationary models known as α- and ξ-attractors gives identical cosmological predictions at tree level (at leading order in inverse power of the number of efolds). Working with the renormalization group improved action, we show that these predictions are robust under quantum corrections. This means that for all the models considered the inflationary parameters (ns , r) are (nearly) independent on the Renormalization Group flow. The result follows once the field dependence of the renormalization scale, fixed by demanding the leading log correction to vanish, satisfies a quite generic condition. In Higgs inflation (which is a particular ξ-attractor) this is indeed the case; in the more general attractor models this is still ensured by the renormalizability of the theory in the effective field theory sense.

ELECTRON IMPACT DISSOCIATION X {sup 1}{Sigma}{sup +} {sub g} {yields} b {sup 3}{Sigma} {sub u} {sup +} AND EXCITATIONS X {sup 1}{Sigma}{sup +} {sub g} {yields} a {sup 3}{Sigma} {sub g} {sup +} AND X {sup 1}{Sigma}{sup +} {sub g} {yields} B {sup 1}{Sigma} {sub u} {sup +} OF MOLECULAR HYDROGEN IN NONTHERMAL ASTROPHYSICAL PLASMAS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ki, Dae-Han; Jung, Young-Dae, E-mail: ydjung@hanyang.ac.kr

We investigate the electronic transitions X {sup 1}{Sigma}{sup +} {sub g} {yields} b {sup 3}{Sigma} {sub u} {sup +}, X {sup 1}{Sigma}{sup +} {sub g} {yields} a {sup 3}{Sigma} {sub g} {sup +}, and X {sup 1}{Sigma}{sup +} {sub g} {yields} B {sup 1}{Sigma} {sub u} {sup +} of molecular hydrogen by studying electron impacts in astrophysical Lorentzian plasmas. Useful fitting formulae for the X {sup 1}{Sigma}{sup +} {sub g} {yields} b {sup 3}{Sigma} {sub u} {sup +}, X {sup 1}{Sigma}{sup +} {sub g} {yields} a {sup 3}{Sigma} {sub g} {sup +}, and X {sup 1}{Sigma}{sup +} {sub g} {yields}more » B {sup 1}{Sigma} {sub u} {sup +} excitation cross sections are employed in order to obtain the electronic excitation rate coefficients of H{sub 2} as functions of the spectral index and temperature. In low-temperature regions, it is found that the excitation rate coefficients R{sub b{sup 3}{Sigma}{sub u{sup {sub +}}}}, R{sub a{sup 3}{Sigma}{sub g{sup {sub +}}}}, and R{sub B{sub {sup 1}{Sigma}{sub u{sup {sub +}}}}} of H{sub 2} in non-Maxwellian plasmas are smaller than those in Maxwellian plasmas. However, in high-temperature regions, the excitation rate coefficients of H{sub 2} in non-Maxwellian plasmas are greater than those in Maxwellian plasmas. It is also shown that the X {sup 1}{Sigma}{sup +} {sub g} {yields} b {sup 3}{Sigma} {sub u} {sup +} excitation rate coefficient is the main contributor in low-temperature regions. In contrast, it is found that the X {sup 1}{Sigma}{sup +} {sub g} {yields} B {sup 1}{Sigma} {sub u} {sup +} electronic excitation is dominant in high-temperature regions.« less

Quantum Teleportation and Grover's Algorithm Without the Wavefunction

NASA Astrophysics Data System (ADS)

Niestegge, Gerd

2017-02-01

In the same way as the quantum no-cloning theorem and quantum key distribution in two preceding papers, entanglement-assisted quantum teleportation and Grover's search algorithm are generalized by transferring them to an abstract setting, including usual quantum mechanics as a special case. This again shows that a much more general and abstract access to these quantum mechanical features is possible than commonly thought. A non-classical extension of conditional probability and, particularly, a very special type of state-independent conditional probability are used instead of Hilbert spaces and wavefunctions.

A non-symmetric Yang-Baxter algebra for the quantum nonlinear Schrödinger model

NASA Astrophysics Data System (ADS)

Vlaar, Bart

2013-06-01

We study certain non-symmetric wavefunctions associated with the quantum nonlinear Schrödinger model, introduced by Komori and Hikami using Gutkin’s propagation operator, which involves representations of the degenerate affine Hecke algebra. We highlight how these functions can be generated using a vertex-type operator formalism similar to the recursion defining the symmetric (Bethe) wavefunction in the quantum inverse scattering method. Furthermore, some of the commutation relations encoded in the Yang-Baxter equation for the relevant monodromy matrix are generalized to the non-symmetric case.

On numerical solution of the Schrödinger equation: the shooting method revisited

NASA Astrophysics Data System (ADS)

Indjin, D.; Todorović, G.; Milanović, V.; Ikonić, Z.

1995-09-01

An alternative formulation of the "shooting" method for a numerical solution of the Schrödinger equation is described for cases of general asymmetric one-dimensional potential (planar geometry), and spherically symmetric potential. The method relies on matching the asymptotic wavefunctions and the potential core region wavefunctions, in course of finding bound states energies. It is demonstrated in the examples of Morse and Kratzer potentials, where a high accuracy of the calculated eigenvalues is found, together with a considerable saving of the computation time.

Watching the brain recalibrate: Neural correlates of renormalization during face adaptation.

PubMed

Kloth, Nadine; Rhodes, Gillian; Schweinberger, Stefan R

2017-07-15

The face perception system flexibly adjusts its neural responses to current face exposure, inducing aftereffects in the perception of subsequent faces. For instance, adaptation to expanded faces makes undistorted faces appear compressed, and adaptation to compressed faces makes undistorted faces appear expanded. Such distortion aftereffects have been proposed to result from renormalization, in which the visual system constantly updates a prototype according to the adaptors' characteristics and evaluates subsequent faces relative to that. However, although consequences of adaptation are easily observed in behavioral aftereffects, it has proven difficult to observe renormalization during adaptation itself. Here we directly measured brain responses during adaptation to establish a neural correlate of renormalization. Given that the face-evoked occipito-temporal P2 event-related brain potential has been found to increase with face prototypicality, we reasoned that the adaptor-elicited P2 could serve as an electrophysiological indicator for renormalization. Participants adapted to sequences of four distorted (compressed or expanded) or undistorted faces, followed by a slightly distorted test face, which they had to classify as undistorted or distorted. We analysed ERPs evoked by each of the adaptors and found that P2 (but not N170) amplitudes evoked by consecutive adaptor faces exhibited an electrophysiological pattern of renormalization during adaptation to distorted faces: P2 amplitudes evoked by both compressed and expanded adaptors significantly increased towards asymptotic levels as adaptation proceeded. P2 amplitudes were smallest for the first adaptor, significantly larger for the second, and yet larger for the third adaptor. We conclude that the sensitivity of the occipito-temporal P2 to the perceived deviation of a face from the norm makes this component an excellent tool to study adaptation-induced renormalization. Copyright © 2017 Elsevier Inc. All rights reserved.

The sigma factors of Bacillus subtilis.

PubMed Central

Haldenwang, W G

1995-01-01

The specificity of DNA-dependent RNA polymerase for target promotes is largely due to the replaceable sigma subunit that it carries. Multiple sigma proteins, each conferring a unique promoter preference on RNA polymerase, are likely to be present in all bacteria; however, their abundance and diversity have been best characterized in Bacillus subtilis, the bacterium in which multiple sigma factors were first discovered. The 10 sigma factors thus far identified in B. subtilis directly contribute to the bacterium's ability to control gene expression. These proteins are not merely necessary for the expression of those operons whose promoters they recognize; in many instances, their appearance within the cell is sufficient to activate these operons. This review describes the discovery of each of the known B. subtilis sigma factors, their characteristics, the regulons they direct, and the complex restrictions placed on their synthesis and activities. These controls include the anticipated transcriptional regulation that modulates the expression of the sigma factor structural genes but, in the case of several of the B. subtilis sigma factors, go beyond this, adding novel posttranslational restraints on sigma factor activity. Two of the sigma factors (sigma E and sigma K) are, for example, synthesized as inactive precursor proteins. Their activities are kept in check by "pro-protein" sequences which are cleaved from the precursor molecules in response to intercellular cues. Other sigma factors (sigma B, sigma F, and sigma G) are inhibited by "anti-sigma factor" proteins that sequester them into complexes which block their ability to form RNA polymerase holoenzymes. The anti-sigma factors are, in turn, opposed by additional proteins which participate in the sigma factors' release. The devices used to control sigma factor activity in B, subtilis may prove to be as widespread as multiple sigma factors themselves, providing ways of coupling sigma factor activation to environmental or physiological signals that cannot be readily joined to other regulatory mechanisms. PMID:7708009

Renormalized Energy Concentration in Random Matrices

NASA Astrophysics Data System (ADS)

Borodin, Alexei; Serfaty, Sylvia

2013-05-01

We define a "renormalized energy" as an explicit functional on arbitrary point configurations of constant average density in the plane and on the real line. The definition is inspired by ideas of Sandier and Serfaty (From the Ginzburg-Landau model to vortex lattice problems, 2012; 1D log-gases and the renormalized energy, 2013). Roughly speaking, it is obtained by subtracting two leading terms from the Coulomb potential on a growing number of charges. The functional is expected to be a good measure of disorder of a configuration of points. We give certain formulas for its expectation for general stationary random point processes. For the random matrix β-sine processes on the real line ( β = 1,2,4), and Ginibre point process and zeros of Gaussian analytic functions process in the plane, we compute the expectation explicitly. Moreover, we prove that for these processes the variance of the renormalized energy vanishes, which shows concentration near the expected value. We also prove that the β = 2 sine process minimizes the renormalized energy in the class of determinantal point processes with translation invariant correlation kernels.

Spin-orbital quantum liquid on the honeycomb lattice

NASA Astrophysics Data System (ADS)

Corboz, Philippe

2013-03-01

The symmetric Kugel-Khomskii can be seen as a minimal model describing the interactions between spin and orbital degrees of freedom in transition-metal oxides with orbital degeneracy, and it is equivalent to the SU(4) Heisenberg model of four-color fermionic atoms. We present simulation results for this model on various two-dimensional lattices obtained with infinite projected-entangled pair states (iPEPS), an efficient variational tensor-network ansatz for two dimensional wave functions in the thermodynamic limit. This approach can be seen as a two-dimensional generalization of matrix product states - the underlying ansatz of the density matrix renormalization group method. We find a rich variety of exotic phases: while on the square and checkerboard lattices the ground state exhibits dimer-Néel order and plaquette order, respectively, quantum fluctuations on the honeycomb lattice destroy any order, giving rise to a spin-orbital liquid. Our results are supported from flavor-wave theory and exact diagonalization. Furthermore, the properties of the spin-orbital liquid state on the honeycomb lattice are accurately accounted for by a projected variational wave-function based on the pi-flux state of fermions on the honeycomb lattice at 1/4-filling. In that state, correlations are algebraic because of the presence of a Dirac point at the Fermi level, suggesting that the ground state is an algebraic spin-orbital liquid. This model provides a good starting point to understand the recently discovered spin-orbital liquid behavior of Ba3CuSb2O9. The present results also suggest to choose optical lattices with honeycomb geometry in the search for quantum liquids in ultra-cold four-color fermionic atoms. We acknowledge the financial support from the Swiss National Science Foundation.

Processing of the mother-cell sigma factor, sigma K, may depend on events occurring in the forespore during Bacillus subtilis development.

PubMed Central

Lu, S; Halberg, R; Kroos, L

1990-01-01

During sporulation of the Gram-positive bacterium Bacillus subtilis, transcription of genes encoding spore coat proteins in the mother-cell compartment of the sporangium is controlled by RNA polymerase containing the sigma subunit called sigma K. Based on comparison of the N-terminal amino acid sequence of sigma K with the nucleotide sequence of the gene encoding sigma K (sigK), the primary product of sigK was inferred to be a pro-protein (pro-sigma K) with 20 extra amino acids at the N terminus. Using antibodies generated against pro-sigma K, we have detected pro-sigma K beginning at the third hour of sporulation and sigma K beginning about 1 hr later. Even when pro-sigma K is expressed artificially during growth and throughout sporulation, sigma K appears at the normal time and expression of a sigma K-controlled gene occurs normally. These results suggest that pro-sigma K is an inactive precursor that is proteolytically processed to active sigma K in a developmentally regulated fashion. Mutations that block forespore gene expression block accumulation of sigma K but not accumulation of pro-sigma K, suggesting that pro-sigma K processing is a regulatory device that couples the programs of gene expression in the two compartments of the sporangium. We propose that this regulatory device ensures completion of forespore morphogenesis prior to the synthesis in the mother-cell of spore coat proteins that will encase the forespore. Images PMID:2124700

Renormalization of concurrence: The application of the quantum renormalization group to quantum-information systems

NASA Astrophysics Data System (ADS)

Kargarian, M.; Jafari, R.; Langari, A.

2007-12-01

We have combined the idea of renormalization group and quantum-information theory. We have shown how the entanglement or concurrence evolve as the size of the system becomes large, i.e., the finite size scaling is obtained. Moreover, we introduce how the renormalization-group approach can be implemented to obtain the quantum-information properties of a many-body system. We have obtained the concurrence as a measure of entanglement, its derivatives and their scaling behavior versus the size of system for the one-dimensional Ising model in transverse field. We have found that the derivative of concurrence between two blocks each containing half of the system size diverges at the critical point with the exponent, which is directly associated with the divergence of the correlation length.

Quantum corrections to non-Abelian SUSY theories on orbifolds

NASA Astrophysics Data System (ADS)

Groot Nibbelink, Stefan; Hillenbach, Mark

2006-07-01

We consider supersymmetric non-Abelian gauge theories coupled to hyper multiplets on five and six dimensional orbifolds, S/Z and T/Z, respectively. We compute the bulk and local fixed point renormalizations of the gauge couplings. To this end we extend supergraph techniques to these orbifolds by defining orbifold compatible delta functions. We develop their properties in detail. To cancel the bulk one-loop divergences the bulk gauge kinetic terms and dimension six higher derivative operators are required. The gauge couplings renormalize at the Z fixed points due to vector multiplet self interactions; the hyper multiplet renormalizes only non- Z fixed points. In 6D the Wess-Zumino-Witten term and a higher derivative analogue have to renormalize in the bulk as well to preserve 6D gauge invariance.

The ab-initio density matrix renormalization group in practice.

PubMed

Olivares-Amaya, Roberto; Hu, Weifeng; Nakatani, Naoki; Sharma, Sandeep; Yang, Jun; Chan, Garnet Kin-Lic

2015-01-21

The ab-initio density matrix renormalization group (DMRG) is a tool that can be applied to a wide variety of interesting problems in quantum chemistry. Here, we examine the density matrix renormalization group from the vantage point of the quantum chemistry user. What kinds of problems is the DMRG well-suited to? What are the largest systems that can be treated at practical cost? What sort of accuracies can be obtained, and how do we reason about the computational difficulty in different molecules? By examining a diverse benchmark set of molecules: π-electron systems, benchmark main-group and transition metal dimers, and the Mn-oxo-salen and Fe-porphine organometallic compounds, we provide some answers to these questions, and show how the density matrix renormalization group is used in practice.

Dynamical systems approach to the study of a sociophysics agent-based model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Timpanaro, Andre M.; Prado, Carmen P. C.

2011-03-24

The Sznajd model is a Potts-like model that has been studied in the context of sociophysics [1,2](where spins are interpreted as opinions). In a recent work [3], we generalized the Sznajd model to include assymetric interactions between the spins (interpreted as biases towards opinions) and used dynamical systems techniques to tackle its mean-field version, given by the flow: {eta}{sub {sigma}} = {Sigma}{sub {sigma}}'{sup M} = 1{eta}{sub {sigma}}{eta}{sigma}'({eta}{sub {sigma}}{rho}{sigma}'{yields}{sigma}-{sigma}'{rho}{sigma}{yields}{sigma}').Where hs is the proportion of agents with opinion (spin){sigma}', M is the number of opinions and {sigma}'{yields}{sigma}' is the probability weight for an agent with opinion {sigma} being convinced by another agentmore » with opinion {sigma}'. We made Monte Carlo simulations of the model in a complex network (using Barabasi-Albert networks [4]) and they displayed the same attractors than the mean-field. Using linear stability analysis, we were able to determine the mean-field attractor structure analytically and to show that it has connections with well known graph theory problems (maximal independent sets and positive fluxes in directed graphs). Our dynamical systems approach is quite simple and can be used also in other models, like the voter model.« less

Rsd family proteins make simultaneous interactions with regions 2 and 4 of the primary sigma factor.

PubMed

Yuan, Andy H; Gregory, Brian D; Sharp, Josh S; McCleary, Katherine D; Dove, Simon L; Hochschild, Ann

2008-12-01

Bacterial anti-sigma factors typically regulate sigma factor function by restricting the access of their cognate sigma factors to the RNA polymerase (RNAP) core enzyme. The Escherichia coli Rsd protein forms a complex with the primary sigma factor, sigma(70), inhibits sigma(70)-dependent transcription in vitro, and has been proposed to function as a sigma(70)-specific anti-sigma factor, thereby facilitating the utilization of alternative sigma factors. In prior work, Rsd has been shown to interact with conserved region 4 of sigma(70), but it is not known whether this interaction suffices to account for the regulatory functions of Rsd. Here we show that Rsd and the Rsd orthologue AlgQ, a global regulator of gene expression in Pseudomonas aeruginosa, interact with conserved region 2 of sigma(70). We show further that Rsd and AlgQ can interact simultaneously with regions 2 and 4 of sigma(70). Our findings establish that the abilities of Rsd and AlgQ to interact with sigma(70) region 2 are important determinants of their in vitro and in vivo activities.

Quantum Monte Carlo with very large multideterminant wavefunctions.

PubMed

Scemama, Anthony; Applencourt, Thomas; Giner, Emmanuel; Caffarel, Michel

2016-07-01

An algorithm to compute efficiently the first two derivatives of (very) large multideterminant wavefunctions for quantum Monte Carlo calculations is presented. The calculation of determinants and their derivatives is performed using the Sherman-Morrison formula for updating the inverse Slater matrix. An improved implementation based on the reduction of the number of column substitutions and on a very efficient implementation of the calculation of the scalar products involved is presented. It is emphasized that multideterminant expansions contain in general a large number of identical spin-specific determinants: for typical configuration interaction-type wavefunctions the number of unique spin-specific determinants Ndetσ ( σ=↑,↓) with a non-negligible weight in the expansion is of order O(Ndet). We show that a careful implementation of the calculation of the Ndet -dependent contributions can make this step negligible enough so that in practice the algorithm scales as the total number of unique spin-specific determinants,  Ndet↑+Ndet↓, over a wide range of total number of determinants (here, Ndet up to about one million), thus greatly reducing the total computational cost. Finally, a new truncation scheme for the multideterminant expansion is proposed so that larger expansions can be considered without increasing the computational time. The algorithm is illustrated with all-electron fixed-node diffusion Monte Carlo calculations of the total energy of the chlorine atom. Calculations using a trial wavefunction including about 750,000 determinants with a computational increase of ∼400 compared to a single-determinant calculation are shown to be feasible. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Effective scalar field theory and reduction of couplings

NASA Astrophysics Data System (ADS)

Atance, Mario; Cortés, José Luis

1997-09-01

A general discussion of the renormalization of the quantum theory of a scalar field as an effective field theory is presented. The renormalization group equations in a mass-independent renormalization scheme allow us to identify the possibility to go beyond the renormalizable φ4 theory without losing its predictive power. It is shown that there is a minimal extension with just one additional free parameter (the mass scale of the effective theory expansion) and some of its properties are discussed.

Lorentz symmetry violation with higher-order operators and renormalization

NASA Astrophysics Data System (ADS)

Nascimento, J. R.; Petrov, A. Yu; Reyes, C. M.

2018-01-01

Effective field theory has shown to be a powerful method in searching for quantum gravity effects and in particular for CPT and Lorentz symmetry violation. In this work we study an effective field theory with higher-order Lorentz violation, specifically we consider a modified model with scalars and modified fermions interacting via the Yukawa coupling. We study its renormalization properties, that is, its radiative corrections and renormalization conditions in the light of the requirements of having a finite and unitary S-matrix.

Hypercuboidal renormalization in spin foam quantum gravity

NASA Astrophysics Data System (ADS)

Bahr, Benjamin; Steinhaus, Sebastian

2017-06-01

In this article, we apply background-independent renormalization group methods to spin foam quantum gravity. It is aimed at extending and elucidating the analysis of a companion paper, in which the existence of a fixed point in the truncated renormalization group flow for the model was reported. Here, we repeat the analysis with various modifications and find that both qualitative and quantitative features of the fixed point are robust in this setting. We also go into details about the various approximation schemes employed in the analysis.

Callan-Symanzik equations for infrared Yang-Mills theory

NASA Astrophysics Data System (ADS)

Weber, Axel; Dall'Olio, Pietro

2017-12-01

Dyson-Schwinger equations have been successful in determining the correlation functions in Yang-Mills theory in the Landau gauge, in the infrared regime. We argue that similar results can be obtained, in a technically simpler way, with Callan-Symanzik renormalization group equations. We present generalizations of the infrared safe renormalization scheme proposed by Tissier and Wschebor in 2011, and show how the renormalization scheme dependence can be used to improve the matching to the existing lattice data for the gluon and ghost propagators.

The { β}-expansion formalism in perturbative QCD and its extension

NASA Astrophysics Data System (ADS)

Kataev, A. L.; Mikhailov, S. V.

2016-11-01

We discuss the { β}-expansion for renormalization group invariant quantities tracing this expansion to the different contractions of the corresponding incomplete BPHZ R-operation. All of the coupling renormalizations, which follow from these contractions, should be taken into account for the { β}-expansion. We illustrate this feature considering the nonsinglet Adler function D NS in the third order of perturbation. We propose a generalization of the { β}-expansion for the renormalization group covariant quantities — the { β, γ}-expansion.

Material and Doping Dependence of the Nodal and Antinodal Dispersion Renormalizations in Single- and Multilayer Cuprates

DOE PAGES

Johnston, S.; Lee, W. S.; Chen, Y.; ...

2010-01-01

We presenmore » t a review of bosonic renormalization effects on electronic carriers observed from angle-resolved photoemission spectra in the cuprates. Specifically, we discuss the viewpoint that these renormalizations represent coupling of the electrons to the lattice and review how materials dependence, such as the number of Cu O 2 layers, and doping dependence can be understood straightforwardly in terms of several aspects of electron-phonon coupling in layered correlated materials.« less

Introduction to Sigma Proteins: Evolution of the Concept of Sigma Receptors.

PubMed

Kim, Felix J

2017-01-01

For over 40 years, scientists have endeavored to understand the so-called sigma receptors. During this time, the concept of sigma receptors has continuously and significantly evolved. With thousands of publications on the subject, these proteins have been implicated in various diseases, disorders, and physiological processes. Nevertheless, we are just beginning to understand what sigma proteins do and how they work. Two subtypes have been identified, Sigma1 and Sigma2. Whereas Sigma1 (also known as sigma-1 receptor, Sig1R, σ1 receptor, and several other names) was cloned over 20 years ago, Sigma2 (sigma-2 receptor, σ2 receptor) was cloned very recently and had remained a pharmacologically defined entity. In this volume, we will focus primarily on Sigma1. We will highlight several key subject areas in which Sigma1 has been well characterized as well as (re)emerging areas of interest. Despite the large number of publications regarding Sigma1, several fundamental questions remain unanswered or only partially answered. Most of what we know about Sigma1 comes from pharmacological studies; however, a clearly defined molecular mechanism of action remains elusive. One concept has become clear; Sigma1 is not a traditional receptor. Sigma1 is now considered a unique pharmacologically regulated integral membrane chaperone or scaffolding protein. A number of landmark discoveries over the past decade have begun to reshape the concept of sigma receptors. With the rapid emergence of new information, development of new tools, and changing conceptual frameworks, the field is poised for a period of accelerated progress.

Handshake electron transfer from hydrogen Rydberg atoms incident at a series of metallic thin films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gibbard, J. A.; Softley, T. P.

2016-06-21

Thin metallic films have a 1D quantum well along the surface normal direction, which yields particle-in-a-box style electronic quantum states. However the quantum well is not infinitely deep and the wavefunctions of these states penetrate outside the surface where the electron is bound by its own image-charge attraction. Therefore a series of discrete, vacant states reach out from the thin film into the vacuum increasing the probability of electron transfer from an external atom or molecule to the thin film, especially for the resonant case where the quantum well energy matches that of the atom. We show that “handshake” electronmore » transfer from a highly excited Rydberg atom to these thin-film states is experimentally measurable. Thicker films have a wider 1D box, changing the energetic distribution and image-state contribution to the thin film wavefunctions, resulting in more resonances. Calculations successfully predict the number of resonances and the nature of the thin-film wavefunctions for a given film thickness.« less

Tunable tunneling: stationary states of the Bose-Einstein condensate in traps of finite depth

NASA Astrophysics Data System (ADS)

Mahmud, K. W.

2001-03-01

The complete set of stationary solutions in a finite square well for repulsive and attractive Bose-Einstein condensates was obtained. An immediate application of these different solution types is tunable tunneling. Magnetically tunable Feshbach resonances [1] can change the scattering length of certain atoms, such as ^85Rb , by several orders of magnitude, including the sign, and thereby also change the mean field nonlinearity term of the equation and the tunneling of the wavefunction. Extending earlier work on the solutions of the Gross-Pitaevskii equation under box and periodic boundary conditions [2,3], we find both linear-type localized solutions and uniquely nonlinear partially localized states where the tails of the wavefunction become nonzero at infinity when the nonlinearity increases. The tunneling and localization of the wavefunction therefore becomes an external experimentally controllable parameter. PACS numbers: 03.75.Fi, 05.30.Jp, 67.40.-w 1. Ph. Courteille et al., Phys. Rev. Lett. 81, 69 (1998) 2, 3. L. D. Carr, C. W. Clark, and W. P. Reinhardt, Phys. Rev. A 62, 063610 and 063611 (2000)

Vibrational self-consistent field theory using optimized curvilinear coordinates.

PubMed

Bulik, Ireneusz W; Frisch, Michael J; Vaccaro, Patrick H

2017-07-28

A vibrational SCF model is presented in which the functions forming the single-mode functions in the product wavefunction are expressed in terms of internal coordinates and the coordinates used for each mode are optimized variationally. This model involves no approximations to the kinetic energy operator and does not require a Taylor-series expansion of the potential. The non-linear optimization of coordinates is found to give much better product wavefunctions than the limited variations considered in most previous applications of SCF methods to vibrational problems. The approach is tested using published potential energy surfaces for water, ammonia, and formaldehyde. Variational flexibility allowed in the current ansätze results in excellent zero-point energies expressed through single-product states and accurate fundamental transition frequencies realized by short configuration-interaction expansions. Fully variational optimization of single-product states for excited vibrational levels also is discussed. The highlighted methodology constitutes an excellent starting point for more sophisticated treatments, as the bulk characteristics of many-mode coupling are accounted for efficiently in terms of compact wavefunctions (as evident from the accurate prediction of transition frequencies).

Why does MP2 work?

PubMed

Fink, Reinhold F

2016-11-14

We show analytically and numerically that the performance of second order Møller-Plesset (MP) perturbation theory (PT), coupled-cluster (CC) theory, and other perturbation theory approaches can be rationalized by analyzing the wavefunctions of these methods. While rather large deviations for the individual contributions of configurations to the electron correlation energy are found for MP wavefunctions, they profit from an advantageous and robust error cancellation: The absolute contribution to the correlation energy is generally underestimated for the critical excitations with small energy denominators and all other doubly excited configurations where the two excited electrons are coupled to a singlet. This is balanced by an overestimation of the contribution of triplet-coupled double excitations to the correlation energy. The even better performance of spin-component-scaled-MP2 theory is explained by a similar error compensation effect. The wavefunction analysis for the lowest singlet states of H 2 O, CH 2 , CO, and Cu + shows the predicted trends for MP methods, rapid but biased convergence of CC theory as well as the substantial potential of linearized CC, or retaining the excitation-degree (RE)-PT.

Accurate donor electron wave functions from a multivalley effective mass theory.

NASA Astrophysics Data System (ADS)

Pendo, Luke; Hu, Xuedong

Multivalley effective mass (MEM) theories combine physical intuition with a marginal need for computational resources, but they tend to be insensitive to variations in the wavefunction. However, recent papers suggest full Bloch functions and suitable central cell donor potential corrections are essential to replicating qualitative and quantitative features of the wavefunction. In this talk, we consider a variational MEM method that can accurately predict both spectrum and wavefunction of isolated phosphorus donors. As per Gamble et. al, we employ a truncated series representation of the Bloch function with a tetrahedrally symmetric central cell correction. We use a dynamic dielectric constant, a feature commonly seen in tight-binding methods. Uniquely, we use a freely extensible basis of either all Slater- or all Gaussian-type functions. With a large basis able to capture the influence of higher energy eigenstates, this method is well positioned to consider the influence of external perturbations, such as electric field or applied strain, on the charge density. This work is supported by the US Army Research Office (W911NF1210609).

KINETIC ENERGY DISTRIBUTION OF H(1s) FROM H{sub 2} X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g} EXCITATION AND LIFETIMES AND TRANSITION PROBABILITIES OF a {sup 3}{Sigma}{sup +} {sub g}(v, J)

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu Xianming; Johnson, Paul V.; Malone, Charles P.

Dissociative excitation of molecular hydrogen plays an important role in the heating of outer planet upper thermospheres. This paper addresses the role of one of the triplet states involved in the process. H{sub 2} excited to the a {sup 3}{Sigma}{sup +} {sub g} state, or higher triplet-ungerade states, is dissociated via the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} continuum. The kinetic energy distribution of H(1s) produced from direct X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g}(v, J) excitation by electrons is investigated by an accurate theoretical evaluation of spontaneous transition probabilities ofmore » the a {sup 3}{Sigma}{sup +} {sub g}(v, J)-b {sup 3}{Sigma}{sup +} {sub u} continuum transition. It is shown that the X {sup 1}{Sigma}{sup +} {sub g}(0)-a {sup 3}{Sigma}{sup +} {sub g}(v, J) excitation primarily produces H(1s) atoms with kinetic energies lower than 2 eV. In addition to the continuum a {sup 3}{Sigma}{sup +} {sub g}(v, J)-b {sup 3}{Sigma}{sup +} {sub u} transition probabilities, spontaneous emission lifetimes of the a {sup 3}{Sigma}{sup +} {sub g}(v, J) (v = 0-20, J {<=} 14) levels have been calculated by considering both the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} and a {sup 3}{Sigma}{sup +} {sub g}-c {sup 3}{Pi} {sub u} transitions. The calculated lifetimes show a moderately strong rotational dependence, and the lifetimes for the J = 0 rotational level of the low v levels agree well with previous calculations and experimental measurements. Calculations of the a {sup 3}{Sigma}{sup +} {sub g}-b {sup 3}{Sigma}{sup +} {sub u} continuum emission spectra from electron impact X {sup 1}{Sigma}{sup +} {sub g}-a {sup 3}{Sigma}{sup +} {sub g} excitation are included.« less

Procedures for estimating confidence intervals for selected method performance parameters.

PubMed

McClure, F D; Lee, J K

2001-01-01

Procedures for estimating confidence intervals (CIs) for the repeatability variance (sigmar2), reproducibility variance (sigmaR2 = sigmaL2 + sigmar2), laboratory component (sigmaL2), and their corresponding standard deviations sigmar, sigmaR, and sigmaL, respectively, are presented. In addition, CIs for the ratio of the repeatability component to the reproducibility variance (sigmar2/sigmaR2) and the ratio of the laboratory component to the reproducibility variance (sigmaL2/sigmaR2) are also presented.

Turbulent transport of a passive-scalar field by using a renormalization-group method

NASA Technical Reports Server (NTRS)

Hossain, Murshed

1992-01-01

A passive-scalar field is considered to evolve under the influence of a turbulent fluid governed by the Navier-Stokes equation. Turbulent-transport coefficients are calculated by small-scale elimination using a renormalization-group method. Turbulent processes couple both the viscosity and the diffusivity. In the absence of any correlation between the passive-scalar fluctuations and any component of the fluid velocity, the renormalized diffusivity is essentially the same as if the fluid velocity were frozen, although the renormalized equation does contain higher-order nonlinear terms involving viscosity. This arises due to the nonlinear interaction of the velocity with itself. In the presence of a finite correlation, the turbulent diffusivity becomes coupled with both the velocity field and the viscosity. There is then a dependence of the turbulent decay of the passive scalar on the turbulent Prandtl number.

Renormalization of spin excitations in hexagonal HoMnO3 by magnon-phonon coupling

NASA Astrophysics Data System (ADS)

Kim, Taehun; Leiner, Jonathan C.; Park, Kisoo; Oh, Joosung; Sim, Hasung; Iida, Kazuki; Kamazawa, Kazuya; Park, Je-Geun

2018-05-01

Hexagonal HoMnO3, a two-dimensional Heisenberg antiferromagnet, has been studied via inelastic neutron scattering. A simple Heisenberg model with a single-ion anisotropy describes most features of the spin-wave dispersion curves. However, there is shown to be a renormalization of the magnon energies located at around 11 meV. Since both the magnon-magnon interaction and magnon-phonon coupling can affect the renormalization in a noncollinear magnet, we have accounted for both of these couplings by using a Heisenberg XXZ model with 1 /S expansions [1] and the Einstein site phonon model [13], respectively. This quantitative analysis leads to the conclusion that the renormalization effect primarily originates from the magnon-phonon coupling, while the spontaneous magnon decay due to the magnon-magnon interaction is suppressed by strong two-ion anisotropy.

Off-shell renormalization in Higgs effective field theories

NASA Astrophysics Data System (ADS)

Binosi, Daniele; Quadri, Andrea

2018-04-01

The off-shell one-loop renormalization of a Higgs effective field theory possessing a scalar potential ˜ {({Φ}^{\\dagger}Φ -υ^2/2)}^N with N arbitrary is presented. This is achieved by renormalizing the theory once reformulated in terms of two auxiliary fields X 1,2, which, due to the invariance under an extended Becchi-Rouet-Stora-Tyutin symmetry, are tightly constrained by functional identities. The latter allow in turn the explicit derivation of the mapping onto the original theory, through which the (divergent) multi-Higgs amplitude are generated in a purely algebraic fashion. We show that, contrary to naive expectations based on the loss of power counting renormalizability, the Higgs field undergoes a linear Standard Model like redefinition, and evaluate the renormalization of the complete set of Higgs self-coupling in the N → ∞ case.

Band gap renormalization and Burstein-Moss effect in silicon- and germanium-doped wurtzite GaN up to 1020 cm-3

NASA Astrophysics Data System (ADS)

Feneberg, Martin; Osterburg, Sarah; Lange, Karsten; Lidig, Christian; Garke, Bernd; Goldhahn, Rüdiger; Richter, Eberhard; Netzel, Carsten; Neumann, Maciej D.; Esser, Norbert; Fritze, Stephanie; Witte, Hartmut; Bläsing, Jürgen; Dadgar, Armin; Krost, Alois

2014-08-01

The interplay between band gap renormalization and band filling (Burstein-Moss effect) in n-type wurtzite GaN is investigated. For a wide range of electron concentrations up to 1.6×1020cm-3 spectroscopic ellipsometry and photoluminescence were used to determine the dependence of the band gap energy and the Fermi edge on electron density. The band gap renormalization is the dominating effect up to an electron density of about 9×1018cm-3; at higher values the Burstein-Moss effect is stronger. Exciton screening, the Mott transition, and formation of Mahan excitons are discussed. A quantitative understanding of the near gap transition energies on electron density is obtained. Higher energy features in the dielectric functions up to 10eV are not influenced by band gap renormalization.

Renormalization group estimates of transport coefficients in the advection of a passive scalar by incompressible turbulence

NASA Technical Reports Server (NTRS)

Zhou, YE; Vahala, George

1993-01-01

The advection of a passive scalar by incompressible turbulence is considered using recursive renormalization group procedures in the differential sub grid shell thickness limit. It is shown explicitly that the higher order nonlinearities induced by the recursive renormalization group procedure preserve Galilean invariance. Differential equations, valid for the entire resolvable wave number k range, are determined for the eddy viscosity and eddy diffusivity coefficients, and it is shown that higher order nonlinearities do not contribute as k goes to 0, but have an essential role as k goes to k(sub c) the cutoff wave number separating the resolvable scales from the sub grid scales. The recursive renormalization transport coefficients and the associated eddy Prandtl number are in good agreement with the k-dependent transport coefficients derived from closure theories and experiments.

Gauge-independent renormalization of the N2HDM

NASA Astrophysics Data System (ADS)

Krause, Marcel; López-Val, David; Mühlleitner, Margarete; Santos, Rui

2017-12-01

The Next-to-Minimal 2-Higgs-Doublet Model (N2HDM) is an interesting benchmark model for a Higgs sector consisting of two complex doublet and one real singlet fields. Like the Next-to-Minimal Supersymmetric extension (NMSSM) it features light Higgs bosons that could have escaped discovery due to their singlet admixture. Thereby, the model allows for various different Higgs-to-Higgs decay modes. Contrary to the NMSSM, however, the model is not subject to supersymmetric relations restraining its allowed parameter space and its phenomenology. For the correct determination of the allowed parameter space, the correct interpretation of the LHC Higgs data and the possible distinction of beyond-the-Standard Model Higgs sectors higher order corrections to the Higgs boson observables are crucial. This requires not only their computation but also the development of a suitable renormalization scheme. In this paper we have worked out the renormalization of the complete N2HDM and provide a scheme for the gauge-independent renormalization of the mixing angles. We discuss the renormalization of the Z_2 soft breaking parameter m 12 2 and the singlet vacuum expectation value v S . Both enter the Higgs self-couplings relevant for Higgs-to-Higgs decays. We apply our renormalization scheme to different sample processes such as Higgs decays into Z bosons and decays into a lighter Higgs pair. Our results show that the corrections may be sizable and have to be taken into account for reliable predictions.

Faceting of {sigma}3 and {sigma}9 grain boundaries in Cu-Bi alloys

DOE Office of Scientific and Technical Information (OSTI.GOV)

Straumal, B.B.; Polyakov, S.A.; Max-Planck-Institut fuer Metallforschung and Institut fuer Metallkunde, Heisenbergstr. 3, 70569 Stuttgart

2005-01-10

The faceting of {sigma}3 and {sigma}9 tilt grain boundaries (GBs) has been studied in bicrystals of pure Cu and Cu-Bi alloys containing 2.5 x 10{sup -3}, 10 x 10{sup -3} and 16 x 10{sup -3} at.% Bi. The {sigma}3(1 0 0), {sigma}9(1 0 0), {sigma}9(-1 1 0), and {sigma}9(-1 2 0) facets and non-CSL {sigma}3 82 deg 9R facet were observed, where {sigma} is the inverse density of coincidence sites. The ratio between GB energy, {sigma}{sub GB}, and surface energy, {sigma}{sub sur}, was measured by atomic force microscopy using the GB thermal-groove method. The GB energy and thermal-groove deepening ratemore » increased slightly between 0 and 10 x 10{sup -3} at.% Bi for all facets studied. However, between 10 x 10{sup -3} and 16 x 10{sup -3} at.% Bi the GB energy increased dramatically [from a factor 2 for the {sigma}9(1 1 0) facet to 15 times larger for the {sigma}3(1 0 0) facet]. The thermal-groove deepening rate also increased by a factor of 10 in this concentration range. This change corresponds well with the GB solidus line (i.e., the formation of a stable layer of a liquid-like GB phase called GB prewetting) observed previously. Wulff diagrams were constructed using measured {sigma}{sub GB}/{sigma}{sub sur} values.« less

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction.

PubMed

Granovsky, Alexander A

2015-12-21

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

Excitons in the Fractional Quantum Hall Effect

DOE R&D Accomplishments Database

Laughlin, R. B.

1984-09-01

Quasiparticles of charge 1/m in the Fractional Quantum Hall Effect form excitons, which are collective excitations physically similar to the transverse magnetoplasma oscillations of a Wigner crystal. A variational exciton wavefunction which shows explicitly that the magnetic length is effectively longer for quasiparticles than for electrons is proposed. This wavefunction is used to estimate the dispersion relation of these excitons and the matrix elements to generate them optically out of the ground state. These quantities are then used to describe a type of nonlinear conductivity which may occur in these systems when they are relatively clean.

Communication: An efficient approach to compute state-specific nuclear gradients for a generic state-averaged multi-configuration self consistent field wavefunction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Granovsky, Alexander A., E-mail: alex.granovsky@gmail.com

We present a new, very efficient semi-numerical approach for the computation of state-specific nuclear gradients of a generic state-averaged multi-configuration self consistent field wavefunction. Our approach eliminates the costly coupled-perturbed multi-configuration Hartree-Fock step as well as the associated integral transformation stage. The details of the implementation within the Firefly quantum chemistry package are discussed and several sample applications are given. The new approach is routinely applicable to geometry optimization of molecular systems with 1000+ basis functions using a standalone multi-core workstation.

Application of the principle of maximum conformality to the hadroproduction of the Higgs boson at the LHC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Sheng-Quan; Wu, Xing-Gang; Brodsky, Stanley J.

We present improved perturbative QCD (pQCD) predictions for Higgs boson hadroproduction at the LHC by applying the principle of maximum conformality (PMC), a procedure which resums the pQCD series using the renormalization group (RG), thereby eliminating the dependence of the predictions on the choice of the renormalization scheme while minimizing sensitivity to the initial choice of the renormalization scale. In previous pQCD predictions for Higgs boson hadroproduction, it has been conventional to assume that the renormalization scale μ r of the QCD coupling α s ( μ r ) is the Higgs mass and then to vary this choice overmore » the range 1 / 2 m H < μ r < 2 m H in order to estimate the theory uncertainty. However, this error estimate is only sensitive to the nonconformal β terms in the pQCD series, and thus it fails to correctly estimate the theory uncertainty in cases where a pQCD series has large higher-order contributions, as is the case for Higgs boson hadroproduction. Furthermore, this ad hoc choice of scale and range gives pQCD predictions which depend on the renormalization scheme being used, in contradiction to basic RG principles. In contrast, after applying the PMC, we obtain next-to-next-to-leading-order RG resummed pQCD predictions for Higgs boson hadroproduction which are renormalization-scheme independent and have minimal sensitivity to the choice of the initial renormalization scale. Taking m H = 125 GeV , the PMC predictions for the p p → H X Higgs inclusive hadroproduction cross sections for various LHC center-of-mass energies are σ Incl | 7 TeV = 21.2 1 + 1.36 - 1.32 pb , σ Incl | 8 TeV = 27.3 7 + 1.65 - 1.59 pb , and σ Incl | 13 TeV = 65.7 2 + 3.46 - 3.0 pb . We also predict the fiducial cross section σ fid ( p p → H → γ γ ) : σ fid | 7 TeV = 30.1 + 2.3 - 2.2 fb , σ fid | 8 TeV = 38.3 + 2.9 - 2.8 fb , and σ fid | 13 TeV = 85.8 + 5.7 - 5.3 fb . The error limits in these predictions include the small residual high-order renormalization-scale dependence plus the uncertainty from the factorization scale. The PMC predictions show better agreement with the ATLAS measurements than the LHC Higgs Cross Section Working Group predictions which are based on conventional renormalization-scale setting.« less

The renormalization scale-setting problem in QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, Xing-Gang; Brodsky, Stanley J.; Mojaza, Matin

2013-09-01

A key problem in making precise perturbative QCD predictions is to set the proper renormalization scale of the running coupling. The conventional scale-setting procedure assigns an arbitrary range and an arbitrary systematic error to fixed-order pQCD predictions. In fact, this ad hoc procedure gives results which depend on the choice of the renormalization scheme, and it is in conflict with the standard scale-setting procedure used in QED. Predictions for physical results should be independent of the choice of the scheme or other theoretical conventions. We review current ideas and points of view on how to deal with the renormalization scalemore » ambiguity and show how to obtain renormalization scheme- and scale-independent estimates. We begin by introducing the renormalization group (RG) equation and an extended version, which expresses the invariance of physical observables under both the renormalization scheme and scale-parameter transformations. The RG equation provides a convenient way for estimating the scheme- and scale-dependence of a physical process. We then discuss self-consistency requirements of the RG equations, such as reflexivity, symmetry, and transitivity, which must be satisfied by a scale-setting method. Four typical scale setting methods suggested in the literature, i.e., the Fastest Apparent Convergence (FAC) criterion, the Principle of Minimum Sensitivity (PMS), the Brodsky–Lepage–Mackenzie method (BLM), and the Principle of Maximum Conformality (PMC), are introduced. Basic properties and their applications are discussed. We pay particular attention to the PMC, which satisfies all of the requirements of RG invariance. Using the PMC, all non-conformal terms associated with the β-function in the perturbative series are summed into the running coupling, and one obtains a unique, scale-fixed, scheme-independent prediction at any finite order. The PMC provides the principle underlying the BLM method, since it gives the general rule for extending BLM up to any perturbative order; in fact, they are equivalent to each other through the PMC–BLM correspondence principle. Thus, all the features previously observed in the BLM literature are also adaptable to the PMC. The PMC scales and the resulting finite-order PMC predictions are to high accuracy independent of the choice of the initial renormalization scale, and thus consistent with RG invariance. The PMC is also consistent with the renormalization scale-setting procedure for QED in the zero-color limit. The use of the PMC thus eliminates a serious systematic scale error in perturbative QCD predictions, greatly improving the precision of empirical tests of the Standard Model and their sensitivity to new physics.« less

Influence of Fröhlich polaron coupling on renormalized electron bands in polar semiconductors: Results for zinc-blende GaN

NASA Astrophysics Data System (ADS)

Nery, Jean Paul; Allen, Philip B.

2016-09-01

We develop a simple method to study the zero-point and thermally renormalized electron energy ɛk n(T ) for k n the conduction band minimum or valence maximum in polar semiconductors. We use the adiabatic approximation, including an imaginary broadening parameter i δ to suppress noise in the density-functional integrations. The finite δ also eliminates the polar divergence which is an artifact of the adiabatic approximation. Nonadiabatic Fröhlich polaron methods then provide analytic expressions for the missing part of the contribution of the problematic optical phonon mode. We use this to correct the renormalization obtained from the adiabatic approximation. Test calculations are done for zinc-blende GaN for an 18 ×18 ×18 integration grid. The Fröhlich correction is of order -0.02 eV for the zero-point energy shift of the conduction band minimum, and +0.03 eV for the valence band maximum; the correction to renormalization of the 3.28 eV gap is -0.05 eV, a significant fraction of the total zero point renormalization of -0.15 eV.

Multiscale unfolding of real networks by geometric renormalization

NASA Astrophysics Data System (ADS)

García-Pérez, Guillermo; Boguñá, Marián; Serrano, M. Ángeles

2018-06-01

Symmetries in physical theories denote invariance under some transformation, such as self-similarity under a change of scale. The renormalization group provides a powerful framework to study these symmetries, leading to a better understanding of the universal properties of phase transitions. However, the small-world property of complex networks complicates application of the renormalization group by introducing correlations between coexisting scales. Here, we provide a framework for the investigation of complex networks at different resolutions. The approach is based on geometric representations, which have been shown to sustain network navigability and to reveal the mechanisms that govern network structure and evolution. We define a geometric renormalization group for networks by embedding them into an underlying hidden metric space. We find that real scale-free networks show geometric scaling under this renormalization group transformation. We unfold the networks in a self-similar multilayer shell that distinguishes the coexisting scales and their interactions. This in turn offers a basis for exploring critical phenomena and universality in complex networks. It also affords us immediate practical applications, including high-fidelity smaller-scale replicas of large networks and a multiscale navigation protocol in hyperbolic space, which betters those on single layers.

Renormalization constants for 2-twist operators in twisted mass QCD

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alexandrou, C.; Computation-based Science and Technology Research Center, The Cyprus Institute, 15 Kypranoros Str., 1645 Nicosia; Constantinou, M.

2011-01-01

Perturbative and nonperturbative results on the renormalization constants of the fermion field and the twist-2 fermion bilinears are presented with emphasis on the nonperturbative evaluation of the one-derivative twist-2 vector and axial-vector operators. Nonperturbative results are obtained using the twisted mass Wilson fermion formulation employing two degenerate dynamical quarks and the tree-level Symanzik improved gluon action. The simulations have been performed for pion masses in the range of about 450-260 MeV and at three values of the lattice spacing a corresponding to {beta}=3.9, 4.05, 4.20. Subtraction of O(a{sup 2}) terms is carried out by performing the perturbative evaluation of thesemore » operators at 1-loop and up to O(a{sup 2}). The renormalization conditions are defined in the RI{sup '}-MOM scheme, for both perturbative and nonperturbative results. The renormalization factors, obtained for different values of the renormalization scale, are evolved perturbatively to a reference scale set by the inverse of the lattice spacing. In addition, they are translated to MS at 2 GeV using 3-loop perturbative results for the conversion factors.« less

Time-dependent spectral renormalization method

NASA Astrophysics Data System (ADS)

Cole, Justin T.; Musslimani, Ziad H.

2017-11-01

The spectral renormalization method was introduced by Ablowitz and Musslimani (2005) as an effective way to numerically compute (time-independent) bound states for certain nonlinear boundary value problems. In this paper, we extend those ideas to the time domain and introduce a time-dependent spectral renormalization method as a numerical means to simulate linear and nonlinear evolution equations. The essence of the method is to convert the underlying evolution equation from its partial or ordinary differential form (using Duhamel's principle) into an integral equation. The solution sought is then viewed as a fixed point in both space and time. The resulting integral equation is then numerically solved using a simple renormalized fixed-point iteration method. Convergence is achieved by introducing a time-dependent renormalization factor which is numerically computed from the physical properties of the governing evolution equation. The proposed method has the ability to incorporate physics into the simulations in the form of conservation laws or dissipation rates. This novel scheme is implemented on benchmark evolution equations: the classical nonlinear Schrödinger (NLS), integrable PT symmetric nonlocal NLS and the viscous Burgers' equations, each of which being a prototypical example of a conservative and dissipative dynamical system. Numerical implementation and algorithm performance are also discussed.

The Burkholderia cepacia rpoE gene is not involved in exopolysaccharide production and onion pathogenicity.

PubMed

Devescovi, Giulia; Venturi, Vittorio

2006-03-01

Burkholderia cepacia was originally described as the causative agent of bacterial rot of onions, and it has now emerged as an important opportunistic pathogen causing severe chronic lung infections in patients having cystic fibrosis. Burkholderia cepacia is now classified into nine very closely related species (previously designated as genomovars), all of which have been isolated from both environmental and clinical sources and are collectively known as the B. cepacia complex. The alternative extracytoplasmic function sigma factor, sigmaE, has been determined in several bacterial species as making substantial contributions to bacterial survival under stress conditions. Here, we report the identification and characterization of the rpoE gene, encoding sigmaE, of B. cepacia. It is highly similar to sigmaE of other bacteria, including Escherichia coli and Pseudomonas aeruginosa. Studies using an rpoE knockout mutant of B. cepacia revealed that many stress adaptations, including osmotic, oxidative, desiccation, carbon, and nitrogen stress, were independent of sigmaE. Similarly, biofilm formation; production of exopolysaccharides, N-acyl homoserine lactones, and several exoenzymes; and onion pathogenicity were not affected by the absence of sigmaE. In contrast, sigmaE contributed to the adaptation to heat stress and phosphate starvation.

Practical recursive solution of degenerate Rayleigh-Schroedinger perturbation theory and application to high-order calculations of the Zeeman effect in hydrogen

DOE Office of Scientific and Technical Information (OSTI.GOV)

Silverstone, H.J.; Moats, R.K.

1981-04-01

With the aim of high-order calculations, a new recursive solution for the degenerate Rayleigh-Schroedinger perturbation-theory wave function and energy has been derived. The final formulas, chi/sup (N/)/sub sigma/ = R/sup () -sigma/summation/sup N/-1/sub k/ = 0 H/sup (sigma+1+k/)/sub sigma+1/chi/sup (N/-1-k), E/sup (N/+sigma) = <0Vertical BarH/sup (N/+sigma)/sub sigma+1/Vertical Bar0> + < 0Vertical Barsummation/sup N/-2/sub k/ = 0H/sup (sigma+1+k/)/sub sigma+1/ Vertical Barchi/sup (N/-1-k)>,which involve new Hamiltonian-related operators H/sup (sigma+k/)/sub sigma/ and H/sup( sigma+k/)/sub sigma/, strongly resemble the standard nondegenerate recursive formulas. As an illustration, the perturbed energy coefficients for the 3s-3d/sub 0/ states of hydrogen in the Zeeman effect have been calculatedmore » recursively through 87th order in the square of the magnetic field. Our treatment is compared with that of Hirschfelder and Certain (J. Chem. Phys. 60, 1118 (1974)), and some relative advantages of each are pointed out.« less

Leading temperature dependence of the conductance in Kondo-correlated quantum dots.

PubMed

Aligia, A A

2018-04-18

Using renormalized perturbation theory in the Coulomb repulsion, we derive an analytical expression for the leading term in the temperature dependence of the conductance through a quantum dot described by the impurity Anderson model, in terms of the renormalized parameters of the model. Taking these parameters from the literature, we compare the results with published ones calculated using the numerical renormalization group obtaining a very good agreement. The approach is superior to alternative perturbative treatments. We compare in particular to the results of a simple interpolative perturbation approach.

First Renormalized Parton Distribution Functions from Lattice QCD

NASA Astrophysics Data System (ADS)

Lin, Huey-Wen; LP3 Collaboration

2017-09-01

We present the first lattice-QCD results on the nonperturbatively renormalized parton distribution functions (PDFs). Using X.D. Ji's large-momentum effective theory (LaMET) framework, lattice-QCD hadron structure calculations are able to overcome the longstanding problem of determining the Bjorken- x dependence of PDFs. This has led to numerous additional theoretical works and exciting progress. In this talk, we will address a recent development that implements a step missing from prior lattice-QCD calculations: renormalization, its effects on the nucleon matrix elements, and the resultant changes to the calculated distributions.

Renormalization group contraction of tensor networks in three dimensions

NASA Astrophysics Data System (ADS)

García-Sáez, Artur; Latorre, José I.

2013-02-01

We present a new strategy for contracting tensor networks in arbitrary geometries. This method is designed to follow as strictly as possible the renormalization group philosophy, by first contracting tensors in an exact way and, then, performing a controlled truncation of the resulting tensor. We benchmark this approximation procedure in two dimensions against an exact contraction. We then apply the same idea to a three-dimensional quantum system. The underlying rational for emphasizing the exact coarse graining renormalization group step prior to truncation is related to monogamy of entanglement.

Novel formulations of CKM matrix renormalization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kniehl, Bernd A.; Sirlin, Alberto

2009-12-17

We review two recently proposed on-shell schemes for the renormalization of the Cabibbo-Kobayashi-Maskawa (CKM) quark mixing matrix in the Standard Model. One first constructs gauge-independent mass counterterm matrices for the up- and down-type quarks complying with the hermiticity of the complete mass matrices. Diagonalization of the latter then leads to explicit expressions for the CKM counterterm matrix, which are gauge independent, preserve unitarity, and lead to renormalized amplitudes that are non-singular in the limit in which any two quarks become mass degenerate. One of the schemes also automatically satisfies flavor democracy.

Effective-field renormalization-group method for Ising systems

NASA Astrophysics Data System (ADS)

Fittipaldi, I. P.; De Albuquerque, D. F.

1992-02-01

A new applicable effective-field renormalization-group (ERFG) scheme for computing critical properties of Ising spins systems is proposed and used to study the phase diagrams of a quenched bond-mixed spin Ising model on square and Kagomé lattices. The present EFRG approach yields results which improves substantially on those obtained from standard mean-field renormalization-group (MFRG) method. In particular, it is shown that the EFRG scheme correctly distinguishes the geometry of the lattice structure even when working with the smallest possible clusters, namely N'=1 and N=2.

Critical behavior of the quantum spin- {1}/{2} anisotropic Heisenberg model

NASA Astrophysics Data System (ADS)

Sousa, J. Ricardo de

A two-step renormalization group approach - a decimation followed by an effective field renormalization group (EFRG) - is proposed in this work to study the critical behavior of the quantum spin- {1}/{2} anisotropic Heisenberg model. The new method is illustrated by employing approximations in which clusters with one, two and three spins are used. The values of the critical parameter and critical exponent, in two- and three-dimensional lattices, for the Ising and isotropic Heisenberg limits are calculated and compared with other renormalization group approaches and exact (or series) results.

An extended approach for computing the critical properties in the two-and three-dimensional lattices within the effective-field renormalization group method

NASA Astrophysics Data System (ADS)

de Albuquerque, Douglas F.; Santos-Silva, Edimilson; Moreno, N. O.

2009-10-01

In this letter we employing the effective-field renormalization group (EFRG) to study the Ising model with nearest neighbors to obtain the reduced critical temperature and exponents ν for bi- and three-dimensional lattices by increasing cluster scheme by extending recent works. The technique follows up the same strategy of the mean field renormalization group (MFRG) by introducing an alternative way for constructing classical effective-field equations of state takes on rigorous Ising spin identities.

Renormalization in Large Momentum Effective Theory of Parton Physics.

PubMed

Ji, Xiangdong; Zhang, Jian-Hui; Zhao, Yong

2018-03-16

In the large-momentum effective field theory approach to parton physics, the matrix elements of nonlocal operators of quark and gluon fields, linked by straight Wilson lines in a spatial direction, are calculated in lattice quantum chromodynamics as a function of hadron momentum. Using the heavy-quark effective theory formalism, we show a multiplicative renormalization of these operators at all orders in perturbation theory, both in dimensional and lattice regularizations. The result provides a theoretical basis for extracting parton properties through properly renormalized observables in Monte Carlo simulations.

Effects of long-range interactions on curvature energies of viral shells

NASA Astrophysics Data System (ADS)

Shojaei, Hamid R.; Božič, Anže Lošdorfer; Muthukumar, Murugappan; Podgornik, Rudolf

2016-05-01

We formulate a theory of the effects of long-range interactions on the surface tension and spontaneous curvature of proteinaceous shells based on the general Deryaguin-Landau-Verwey-Overbeek mesoscale approach to colloid stability. We derive the full renormalization formulas for the elastic properties of the shell and consider in detail the renormalization of the spontaneous curvature as a function of the corresponding Hamaker coefficient, inner and outer capsid charges, and bathing solution properties. The renormalized spontaneous curvature is found to be a nonmonotonic function of several parameters describing the system.

Short communication; Formula for the calculation of ground temperature at 1 M depth in Turkey

DOE Office of Scientific and Technical Information (OSTI.GOV)

Tezcan, A.K.

1992-06-01

This paper reports that the formula has been found by using the yearly averages of the temperatures at 1 m depth measured in 193 meteorological stations, distributed all over Turkey. It has thus become possible to determine the regional temperature value at 1 m depth at any point in Turkey, if the latitude, longitude and elevation are known. The values, calculated by the formula, can contribute to geothermal exploration in Turkey by providing values that can be compared with the observed ones, and, by becoming second values for the calculation of geothermal gradients where only single downhole temperatures are available.more » The formula has been evolved by expressing the temperatures as the linear function of latitude (La), longitude (Lo) and elevation (H): T = a + b [center dot] La + c [center dot] Lo + d [center dot] H. The derived four least square equations are a [center dot] n + b [center dot] [Sigma](La) + c [center dot] [Sigma](lo) + d [center dot] [Sigma]H = [Sigma]T a [center dot] [Sigma](La) + b [center dot] [Sigma](La)[sup 2] + c [center dot] [Sigma](La)(Lo) + d [center dot] [Sigma]H(La) =[Sigma]T(La) a [center dot] [Sigma](Lo) + b [center dot] [Sigma](La)(Lo) + c [center dot] [Sigma](Lo)[sup 2] + d [center dot] [Sigma]H(Lo) = [Sigma]T(Lo) a[center dot] [Sigma]H + b [center dot] [Sigma]H(La) + c [center dot] [Sigma](Lo) + d [center dot] [Sigma]H[sup 2] = [Sigma]TH where n is the number of data sets. The calculation of sigma values and the solution of the set of equations have been performed by means of a personal computer. The resulting formula is: T = 57.487 [minus] 1.078 La + 0.102 Lo [minus] 0.00488H where latitude and longitude are expressed in degrees, and elevation in meters. The regional value at Ankara (latitude 39.9[degrees], longitude 32.9[degrees], elevation 894 m) is calculated as 13.5[degrees]C (the measured value at 1 m depth is 14.6[degrees]C) and at Adana.« less

Application of Sigma Metrics Analysis for the Assessment and Modification of Quality Control Program in the Clinical Chemistry Laboratory of a Tertiary Care Hospital.

PubMed

Iqbal, Sahar; Mustansar, Tazeen

2017-03-01

Sigma is a metric that quantifies the performance of a process as a rate of Defects-Per-Million opportunities. In clinical laboratories, sigma metric analysis is used to assess the performance of laboratory process system. Sigma metric is also used as a quality management strategy for a laboratory process to improve the quality by addressing the errors after identification. The aim of this study is to evaluate the errors in quality control of analytical phase of laboratory system by sigma metric. For this purpose sigma metric analysis was done for analytes using the internal and external quality control as quality indicators. Results of sigma metric analysis were used to identify the gaps and need for modification in the strategy of laboratory quality control procedure. Sigma metric was calculated for quality control program of ten clinical chemistry analytes including glucose, chloride, cholesterol, triglyceride, HDL, albumin, direct bilirubin, total bilirubin, protein and creatinine, at two control levels. To calculate the sigma metric imprecision and bias was calculated with internal and external quality control data, respectively. The minimum acceptable performance was considered as 3 sigma. Westgard sigma rules were applied to customize the quality control procedure. Sigma level was found acceptable (≥3) for glucose (L2), cholesterol, triglyceride, HDL, direct bilirubin and creatinine at both levels of control. For rest of the analytes sigma metric was found <3. The lowest value for sigma was found for chloride (1.1) at L2. The highest value of sigma was found for creatinine (10.1) at L3. HDL was found with the highest sigma values at both control levels (8.8 and 8.0 at L2 and L3, respectively). We conclude that analytes with the sigma value <3 are required strict monitoring and modification in quality control procedure. In this study application of sigma rules provided us the practical solution for improved and focused design of QC procedure.

The quantum-field renormalization group in the problem of a growing phase boundary

DOE Office of Scientific and Technical Information (OSTI.GOV)

Antonov, N.V.; Vasil`ev, A.N.

1995-09-01

Within the quantum-field renormalization-group approach we examine the stochastic equation discussed by S.I. Pavlik in describing a randomly growing phase boundary. We show that, in contrast to Pavlik`s assertion, the model is not multiplicatively renormalizable and that its consistent renormalization-group analysis requires introducing an infinite number of counterterms and the respective coupling constants ({open_quotes}charge{close_quotes}). An explicit calculation in the one-loop approximation shows that a two-dimensional surface of renormalization-group points exits in the infinite-dimensional charge space. If the surface contains an infrared stability region, the problem allows for scaling with the nonuniversal critical dimensionalities of the height of the phase boundarymore » and time, {delta}{sub h} and {delta}{sub t}, which satisfy the exact relationship 2 {delta}{sub h}= {delta}{sub t} + d, where d is the dimensionality of the phase boundary. 23 refs., 1 tab.« less

Renormalization-group constraints on Yukawa alignment in multi-Higgs-doublet models

NASA Astrophysics Data System (ADS)

Ferreira, P. M.; Lavoura, L.; Silva, João P.

2010-05-01

We write down the renormalization-group equations for the Yukawa-coupling matrices in a general multi-Higgs-doublet model. We then assume that the matrices of the Yukawa couplings of the various Higgs doublets to right-handed fermions of fixed quantum numbers are all proportional to each other. We demonstrate that, in the case of the two-Higgs-doublet model, this proportionality is preserved by the renormalization-group running only in the cases of the standard type-I, II, X, and Y models. We furthermore show that a similar result holds even when there are more than two Higgs doublets: the Yukawa-coupling matrices to fermions of a given electric charge remain proportional under the renormalization-group running if and only if there is a basis for the Higgs doublets in which all the fermions of a given electric charge couple to only one Higgs doublet.

The renormalization group and the implicit function theorem for amplitude equations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kirkinis, Eleftherios

2008-07-15

This article lays down the foundations of the renormalization group (RG) approach for differential equations characterized by multiple scales. The renormalization of constants through an elimination process and the subsequent derivation of the amplitude equation [Chen et al., Phys. Rev. E 54, 376 (1996)] are given a rigorous but not abstract mathematical form whose justification is based on the implicit function theorem. Developing the theoretical framework that underlies the RG approach leads to a systematization of the renormalization process and to the derivation of explicit closed-form expressions for the amplitude equations that can be carried out with symbolic computation formore » both linear and nonlinear scalar differential equations and first order systems but independently of their particular forms. Certain nonlinear singular perturbation problems are considered that illustrate the formalism and recover well-known results from the literature as special cases.« less

A key heterogeneous structure of fractal networks based on inverse renormalization scheme

NASA Astrophysics Data System (ADS)

Bai, Yanan; Huang, Ning; Sun, Lina

2018-06-01

Self-similarity property of complex networks was found by the application of renormalization group theory. Based on this theory, network topologies can be classified into universality classes in the space of configurations. In return, through inverse renormalization scheme, a given primitive structure can grow into a pure fractal network, then adding different types of shortcuts, it exhibits different characteristics of complex networks. However, the effect of primitive structure on networks structural property has received less attention. In this paper, we introduce a degree variance index to measure the dispersion of nodes degree in the primitive structure, and investigate the effect of the primitive structure on network structural property quantified by network efficiency. Numerical simulations and theoretical analysis show a primitive structure is a key heterogeneous structure of generated networks based on inverse renormalization scheme, whether or not adding shortcuts, and the network efficiency is positively correlated with degree variance of the primitive structure.

One-loop renormalization of a gravity-scalar system

NASA Astrophysics Data System (ADS)

Park, I. Y.

2017-05-01

Extending the renormalizability proposal of the physical sector of 4D Einstein gravity, we have recently proposed renormalizability of the 3D physical sector of gravity-matter systems. The main goal of the present work is to conduct systematic one-loop renormalization of a gravity-matter system by applying our foliation-based quantization scheme. In this work we explicitly carry out renormalization of a gravity-scalar system with a Higgs-type potential. With the fluctuation part of the scalar field gauged away, the system becomes renormalizable through a metric field redefinition. We use dimensional regularization throughout. One of the salient aspects of our analysis is how the graviton propagator acquires the "mass" term. One-loop calculations lead to renormalization of the cosmological and Newton constants. We discuss other implications of our results as well: time-varying vacuum energy density and masses of the elementary particles as well as the potential relevance of Neumann boundary condition for black hole information.

NLO renormalization in the Hamiltonian truncation

NASA Astrophysics Data System (ADS)

Elias-Miró, Joan; Rychkov, Slava; Vitale, Lorenzo G.

2017-09-01

Hamiltonian truncation (also known as "truncated spectrum approach") is a numerical technique for solving strongly coupled quantum field theories, in which the full Hilbert space is truncated to a finite-dimensional low-energy subspace. The accuracy of the method is limited only by the available computational resources. The renormalization program improves the accuracy by carefully integrating out the high-energy states, instead of truncating them away. In this paper, we develop the most accurate ever variant of Hamiltonian Truncation, which implements renormalization at the cubic order in the interaction strength. The novel idea is to interpret the renormalization procedure as a result of integrating out exactly a certain class of high-energy "tail states." We demonstrate the power of the method with high-accuracy computations in the strongly coupled two-dimensional quartic scalar theory and benchmark it against other existing approaches. Our work will also be useful for the future goal of extending Hamiltonian truncation to higher spacetime dimensions.

Renormalization of position space amplitudes in a massless QFT

NASA Astrophysics Data System (ADS)

Todorov, Ivan

2017-03-01

Ultraviolet renormalization of position space massless Feynman amplitudes has been shown to yield associate homogeneous distributions. Their degree is determined by the degree of divergence while their order—the highest power of logarithm in the dilation anomaly—is given by the number of (sub)divergences. In the present paper we review these results and observe that (convergent) integration over internal vertices does not alter the total degree of (superficial) ultraviolet divergence. For a conformally invariant theory internal integration is also proven to preserve the order of associate homogeneity. The renormalized 4-point amplitudes in the φ4 theory (in four space-time dimensions) are written as (non-analytic) translation invariant functions of four complex variables with calculable conformal anomaly. Our conclusion concerning the (off-shell) infrared finiteness of the ultraviolet renormalized massless φ4 theory agrees with the old result of Lowenstein and Zimmermann [23].

REVIEWS OF TOPICAL PROBLEMS: Particle kinetics in highly turbulent plasmas (renormalization and self-consistent field methods)

NASA Astrophysics Data System (ADS)

Bykov, Andrei M.; Toptygin, Igor'N.

1993-11-01

This review presents methods available for calculating transport coefficients for impurity particles in plasmas with strong long-wave MHD-type velocity and magnetic-field fluctuations, and random ensembles of strong shock fronts. The renormalization of the coefficients of the mean-field equation of turbulent dynamo theory is also considered. Particular attention is devoted to the renormalization method developed by the authors in which the renormalized transport coefficients are calculated from a nonlinear transcendental equation (or a set of such equations) and are expressed in the form of explicit functions of pair correlation tensors describing turbulence. Numerical calculations are reproduced for different turbulence spectra. Spatial transport in a magnetic field and particle acceleration by strong turbulence are investigated. The theory can be used in a wide range of practical problems in plasma physics, atmospheric physics, ocean physics, astrophysics, cosmic-ray physics, and so on.

Bacterial Sigma Factors and Anti-Sigma Factors: Structure, Function and Distribution

PubMed Central

Paget, Mark S.

2015-01-01

Sigma factors are multi-domain subunits of bacterial RNA polymerase (RNAP) that play critical roles in transcription initiation, including the recognition and opening of promoters as well as the initial steps in RNA synthesis. This review focuses on the structure and function of the major sigma-70 class that includes the housekeeping sigma factor (Group 1) that directs the bulk of transcription during active growth, and structurally-related alternative sigma factors (Groups 2–4) that control a wide variety of adaptive responses such as morphological development and the management of stress. A recurring theme in sigma factor control is their sequestration by anti-sigma factors that occlude their RNAP-binding determinants. Sigma factors are then released through a wide variety of mechanisms, often involving branched signal transduction pathways that allow the integration of distinct signals. Three major strategies for sigma release are discussed: regulated proteolysis, partner-switching, and direct sensing by the anti-sigma factor. PMID:26131973

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

NASA Astrophysics Data System (ADS)

Gonthier, Jérôme F.; Corminboeuf, Clémence

2014-04-01

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitive terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non-bonded intramolecular interactions.

Exploration of zeroth-order wavefunctions and energies as a first step toward intramolecular symmetry-adapted perturbation theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gonthier, Jérôme F.; Corminboeuf, Clémence, E-mail: clemence.corminboeuf@epfl.ch

2014-04-21

Non-covalent interactions occur between and within all molecules and have a profound impact on structural and electronic phenomena in chemistry, biology, and material science. Understanding the nature of inter- and intramolecular interactions is essential not only for establishing the relation between structure and properties, but also for facilitating the rational design of molecules with targeted properties. These objectives have motivated the development of theoretical schemes decomposing intermolecular interactions into physically meaningful terms. Among the various existing energy decomposition schemes, Symmetry-Adapted Perturbation Theory (SAPT) is one of the most successful as it naturally decomposes the interaction energy into physical and intuitivemore » terms. Unfortunately, analogous approaches for intramolecular energies are theoretically highly challenging and virtually nonexistent. Here, we introduce a zeroth-order wavefunction and energy, which represent the first step toward the development of an intramolecular variant of the SAPT formalism. The proposed energy expression is based on the Chemical Hamiltonian Approach (CHA), which relies upon an asymmetric interpretation of the electronic integrals. The orbitals are optimized with a non-hermitian Fock matrix based on two variants: one using orbitals strictly localized on individual fragments and the other using canonical (delocalized) orbitals. The zeroth-order wavefunction and energy expression are validated on a series of prototypical systems. The computed intramolecular interaction energies demonstrate that our approach combining the CHA with strictly localized orbitals achieves reasonable interaction energies and basis set dependence in addition to producing intuitive energy trends. Our zeroth-order wavefunction is the primary step fundamental to the derivation of any perturbation theory correction, which has the potential to truly transform our understanding and quantification of non-bonded intramolecular interactions.« less

Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients.

PubMed

Yamamoto, Takeshi

2008-12-28

Conventional quantum chemical solvation theories are based on the mean-field embedding approximation. That is, the electronic wavefunction is calculated in the presence of the mean field of the environment. In this paper a direct quantum mechanical/molecular mechanical (QM/MM) analog of such a mean-field theory is formulated based on variational and perturbative frameworks. In the variational framework, an appropriate QM/MM free energy functional is defined and is minimized in terms of the trial wavefunction that best approximates the true QM wavefunction in a statistically averaged sense. Analytical free energy gradient is obtained, which takes the form of the gradient of effective QM energy calculated in the averaged MM potential. In the perturbative framework, the above variational procedure is shown to be equivalent to the first-order expansion of the QM energy (in the exact free energy expression) about the self-consistent reference field. This helps understand the relation between the variational procedure and the exact QM/MM free energy as well as existing QM/MM theories. Based on this, several ways are discussed for evaluating non-mean-field effects (i.e., statistical fluctuations of the QM wavefunction) that are neglected in the mean-field calculation. As an illustration, the method is applied to an S(N)2 Menshutkin reaction in water, NH(3)+CH(3)Cl-->NH(3)CH(3) (+)+Cl(-), for which free energy profiles are obtained at the Hartree-Fock, MP2, B3LYP, and BHHLYP levels by integrating the free energy gradient. Non-mean-field effects are evaluated to be <0.5 kcal/mol using a Gaussian fluctuation model for the environment, which suggests that those effects are rather small for the present reaction in water.

Numerical calculations of energy, nucleus size and coulomb decay rate for ddμ* resonance states in the variational approach using new wavefunctions

NASA Astrophysics Data System (ADS)

Eskandari, M. R.; Gheisari, R.; Kashian, S.

2006-02-01

This paper provides a theoretical complement to the experimental measurement of the population of excited dμ(2s) and dμ(1s) atoms in a deuterium. The population of these atoms plays an important role in a muon catalyzed fusion cycle. Symmetric and non-symmetric muonic molecular ions have been predicted to form in excited states in collisions between excited muonic atoms and hydrogen molecules. One example is the ddμ*, which is a muonic deuterium-deuterium symmetric ion in excited state and is initially produced in the interaction of dμ(2s) atoms with deuterium nuclei. Our calculations interpret the experimental findings in terms of the so-called side-path model. This model essentially deals with the interaction mentioned above in which the ddμ* ion undergoes Coulomb de-excitation where the excitation energy is shared between a dμ(1s) atom and one deuterium. The structure of ddμ* is studied here using the numerical, variational method and the given wavefunctions. Few resonance energies for ddμ* molecular states are calculated below the 2s threshold. For more precise assessment of the reliability of the given wavefunctions, the nucleus sizes and Coulomb decay rates for the zeroth, first and second vibrational meta-stable states of the mentioned ion are also calculated. The obtained results are close to those previously reported. The advantage of the given method over previous methods is that the used wavefunction has only two terms, which simplifies the calculations with the same results as those from the complicated coupled rearrangement channel method with a Gaussian basis set. These energies are the base data required for size, formation and decay rate calculations of the ddμ* ion.

Positive and negative feedback regulatory loops of thiol-oxidative stress response mediated by an unstable isoform of sigmaR in actinomycetes.

PubMed

Kim, Min-Sik; Hahn, Mi-Young; Cho, Yoobok; Cho, Sang-Nae; Roe, Jung-Hye

2009-09-01

Alternate sigma factors provide an effective way of diversifying bacterial gene expression in response to environmental changes. In Streptomyces coelicolor where more than 65 sigma factors are predicted, sigma(R) is the major regulator for response to thiol-oxidative stresses. sigma(R) becomes available when its bound anti-sigma factor RsrA is oxidized at sensitive cysteine thiols to form disulphide bonds. sigma(R) regulon includes genes for itself and multiple thiol-reducing systems, which constitute positive and negative feedback loops respectively. We found that the positive amplification loop involves an isoform of sigma(R) (sigma(R')) with an N-terminal extension of 55 amino acids, produced from an upstream start codon. A major difference between constitutive sigma(R) and inducible sigma(R') is that the latter is markedly unstable (t(1/2) approximately 10 min) compared with the former (> 70 min). The rapid turnover of sigma(R') is partly due to induced ClpP1/P2 proteases from the sigma(R) regulon. This represents a novel way of elaborating positive and negative feedback loops in a control circuit. Similar phenomenon may occur in other actinomycetes that harbour multiple start codons in the sigR homologous gene. We observed that sigH gene, the sigR orthologue in Mycobacterium smegmatis, produces an unstable larger isoform of sigma(H) upon induction by thiol-oxidative stress.

Expression of sigma receptor 1 mRNA and protein in rat retina.

PubMed

Liu, L L; Wang, L; Zhong, Y M; Yang, X L

2010-06-02

Sigma receptor (sigmaR), known as a unique nonopiate, nonphencyclidine brain receptor, can bind diverse classes of psychotropic drugs, neurosteroids and other synthetic compounds, such as (+)pentazocine, etc. Two types of sigmaRs have been identified: sigmaR1 and sigmaR2. In this work, we examined the expression of sigmaR1 in rat retina by reverse transcription-polymerase chain reactive (RT-PCR) analysis and immunofluorescence double labeling. RT-PCR analysis showed that sigmaR1 mRNA was present in rat retina. Furthermore, labeling for sigmaR1 was diffusely distributed in the outer and inner plexiform layers. The sigmaR1-immunoreactivity (IR) was also observed in many cells in the inner nuclear layer and the ganglion cell layer. In the outer retina sigmaR1 was expressed in all horizontal cells labeled by calbindin. In contrast, no sigmaR1-IR was detected in several subtypes of bipolar cells, including rod-dominant ON-type bipolar cells, types 2, 3, 5 and 8 bipolar cells, labeled by protein kinase C (PKC), recoverin and hyperpolarization-activated cyclic nucleotide-gated potassium channel 4 (HCN4) respectively. In the inner retina, most of GABAergic amacrine cells, including dopaminergic and cholinergic ones, stained by tyrosine hydroxylase (TH) and choline acetyltransferase (ChAT) respectively, expressed sigmaR1. Some glycinergic amacrine cells were also labeled by sigmaR1, but glycinergic AII amacrine cells were not labeled. In addition, sigmaR1-IR was seen in almost all somata of the ganglion cells retrogradely labeled by fluorogold. These results suggest that sigmaR1 may have neuromodulatory and neuroprotective roles in the retina. Copyright 2010 IBRO. Published by Elsevier Ltd. All rights reserved.

Bacterial two-hybrid analysis of interactions between region 4 of the sigma(70) subunit of RNA polymerase and the transcriptional regulators Rsd from Escherichia coli and AlgQ from Pseudomonas aeruginosa.

PubMed

Dove, S L; Hochschild, A

2001-11-01

A number of transcriptional regulators mediate their effects through direct contact with the sigma(70) subunit of Escherichia coli RNA polymerase (RNAP). In particular, several regulators have been shown to contact a C-terminal portion of sigma(70) that harbors conserved region 4. This region of sigma contains a putative helix-turn-helix DNA-binding motif that contacts the -35 element of sigma(70)-dependent promoters directly. Here we report the use of a recently developed bacterial two-hybrid system to study the interaction between the putative anti-sigma factor Rsd and the sigma(70) subunit of E. coli RNAP. Using this system, we found that Rsd can interact with an 86-amino-acid C-terminal fragment of sigma(70) and also that amino acid substitution R596H, within region 4 of sigma(70), weakens this interaction. We demonstrated the specificity of this effect by showing that substitution R596H does not weaken the interaction between sigma and two other regulators shown previously to contact region 4 of sigma(70). We also demonstrated that AlgQ, a homolog of Rsd that positively regulates virulence gene expression in Pseudomonas aeruginosa, can contact the C-terminal region of the sigma(70) subunit of RNAP from this organism. We found that amino acid substitution R600H in sigma(70) from P. aeruginosa, corresponding to the R596H substitution in E. coli sigma(70), specifically weakens the interaction between AlgQ and sigma(70). Taken together, our findings suggest that Rsd and AlgQ contact similar surfaces of RNAP present in region 4 of sigma(70) and probably regulate gene expression through this contact.

Renormalization of the Brazilian chiral nucleon-nucleon potential

NASA Astrophysics Data System (ADS)

Da Rocha, Carlos A.; Timóteo, Varese S.

2013-03-01

In this work we present a renormalization of the Brazilian nucleon-nucleon (NN) potential using a subtractive method. We show that the exchange of correlated two pion is important for isovector channels, mainly in tensor and central potentials.

Improved Monte Carlo Renormalization Group Method

DOE R&D Accomplishments Database

Gupta, R.; Wilson, K. G.; Umrigar, C.

1985-01-01

An extensive program to analyze critical systems using an Improved Monte Carlo Renormalization Group Method (IMCRG) being undertaken at LANL and Cornell is described. Here we first briefly review the method and then list some of the topics being investigated.

Crystal structure of the Escherichia coli regulator of sigma70, Rsd, in complex with sigma70 domain 4.

PubMed

Patikoglou, Georgia A; Westblade, Lars F; Campbell, Elizabeth A; Lamour, Valérie; Lane, William J; Darst, Seth A

2007-09-21

The Escherichia coli Rsd protein binds tightly and specifically to the RNA polymerase (RNAP) sigma(70) factor. Rsd plays a role in alternative sigma factor-dependent transcription by biasing the competition between sigma(70) and alternative sigma factors for the available core RNAP. Here, we determined the 2.6 A-resolution X-ray crystal structure of Rsd bound to sigma(70) domain 4 (sigma(70)(4)), the primary determinant for Rsd binding within sigma(70). The structure reveals that Rsd binding interferes with the two primary functions of sigma(70)(4), core RNAP binding and promoter -35 element binding. Interestingly, the most highly conserved Rsd residues form a network of interactions through the middle of the Rsd structure that connect the sigma(70)(4)-binding surface with three cavities exposed on distant surfaces of Rsd, suggesting functional coupling between sigma(70)(4) binding and other binding surfaces of Rsd, either for other proteins or for as yet unknown small molecule effectors. These results provide a structural basis for understanding the role of Rsd, as well as its ortholog, AlgQ, a positive regulator of Pseudomonas aeruginosa virulence, in transcription regulation.

Post-transcriptional regulation of the Streptomyces coelicolor stress responsive sigma factor, SigH, involves translational control, proteolytic processing, and an anti-sigma factor homolog.

PubMed

Viollier, Patrick H; Weihofen, Andreas; Folcher, Marc; Thompson, Charles J

2003-01-24

The sigH gene encodes a sigma factor whose transcription is controlled by stress regulatory systems and the developmental program in Streptomyces coelicolor. Here, we describe developmentally regulated post-transcriptional control systems for SigH. sigH is expressed as three primary translation products, SigH-sigma(37), SigH-sigma(51), and SigH-sigma(52). In vitro, SigH-sigma(52) was comparable to SigH-sigma(37) in its ability to associate with RNA polymerase core enzyme and specifically initiate transcription in vitro. While SigH-sigma(51/52) were the primary gene products observed throughout early phases of growth, their abundance decreased during later stages in liquid or solid phase cultures while levels of shorter, C-terminally encoded products increased. These included SigH-sigma(37), a product of the downstream translational initiation site, as well as two proteolytic derivatives of SigH-sigma(51/52) (34kDa and 38kDa). Accumulation of SigH-sigma(37) and processing of SigH-sigma(51/52) into these stable 34kDa and 38kDa derivatives correlated with morphological changes on solid medium and physiological maturation in liquid medium. SigH-sigma(51/52) processing did not occur on medium non-permissive for aerial mycelium formation or in one particular developmental mutant (brgA). The proteolytic activity could be detected in vitro using crude extracts of stationary phase cultures, but was absent from exponential phase cultures. prsH, the gene upstream of sigH having sequence similarity to known anti-sigma factors, was able to bind to, and thus presumably inactivate SigH-sigma(52), SigH-sigma(51), and SigH-sigma(37). We have shown elsewhere that prsH was conditionally required for colonial development. Thus, while at least one transcriptional regulator is known to bring about the accumulation of sigH mRNA at different times and different locations in colonies, the post-transcriptional processes described here regulate the activity of different SigH isoforms and program their temporal accumulation pattern, i.e. the elimination of SigH-sigma(51/52) and accumulation of SigH-sigma(37)-like proteins, as a function of development.

Expression, subcellular localization, and regulation of sigma receptor in retinal muller cells.

PubMed

Jiang, Guoliang; Mysona, Barbara; Dun, Ying; Gnana-Prakasam, Jaya P; Pabla, Navjotsin; Li, Weiguo; Dong, Zheng; Ganapathy, Vadivel; Smith, Sylvia B

2006-12-01

Sigma receptors (sigmaRs) are nonopioid, nonphencyclidine binding sites with robust neuroprotective properties. Type 1 sigmaR1 (sigmaR1) is expressed in brain oligodendrocytes, but its expression and binding capacity have not been analyzed in retinal glial cells. This study examined the expression, subcellular localization, binding activity, and regulation of sigmaR1 in retinal Müller cells. Primary mouse Müller cells (MCs) were analyzed by RT-PCR, immunoblotting, and immunocytochemistry for the expression of sigmaR1, and data were compared with those of the rat Müller cell line (rMC-1) and the rat ganglion cell line (RGC-5). Confocal microscopy was used to determine the subcellular sigmaR1 location in primary mouse MCs. Membranes prepared from these cells were used for binding assays with [3H]-pentazocine (PTZ). The kinetics of binding, the ability of various sigmaR1 ligands to compete with sigmaR1 binding, and the effects of donated nitric oxide (NO) and reactive oxygen species (ROS) on binding were examined. sigmaR1 is expressed in primary mouse MCs and is localized to the nuclear and endoplasmic reticulum membranes. Binding assays showed that in primary mouse MCs, rMC-1, and RGC-5, the binding of PTZ was saturable. [3H]-PTZ bound with high affinity in RGC-5 and rMC-1 cells, and the binding was similarly robust in primary mouse MCs. Competition studies showed marked inhibition of [3H]-PTZ binding in the presence of sigmaR1-specific ligands. Incubation of cells with NO and ROS donors markedly increased sigmaR1 binding activity. MCs express sigmaR1 and demonstrate robust sigmaR1 binding activity, which is inhibited by sigmaR1 ligands and is stimulated during oxidative stress. The potential of Müller cells to bind sigmaR1 ligands may prove beneficial in retinal degenerative diseases such as diabetic retinopathy.

Mutational analysis of Escherichia coli heat shock transcription factor sigma 32 reveals similarities with sigma 70 in recognition of the -35 promoter element and differences in promoter DNA melting and -10 recognition.

PubMed

Kourennaia, Olga V; Tsujikawa, Laura; Dehaseth, Pieter L

2005-10-01

Upon the exposure of Escherichia coli to high temperature (heat shock), cellular levels of the transcription factor sigma32 rise greatly, resulting in the increased formation of the sigma32 holoenzyme, which is capable of transcription initiation at heat shock promoters. Higher levels of heat shock proteins render the cell better able to cope with the effects of higher temperatures. To conduct structure-function studies on sigma32 in vivo, we have carried out site-directed mutagenesis and employed a previously developed system involving sigma32 expression from one plasmid and a beta-galactosidase reporter gene driven by the sigma32-dependent groE promoter on another in order to monitor the effects of single amino acid substitutions on sigma32 activity. It was found that the recognition of the -35 region involves similar amino acid residues in regions 4.2 of E. coli sigma32 and sigma70. Three conserved amino acids in region 2.3 of sigma32 were found to be only marginally important in determining activity in vivo. Differences between sigma32 and sigma70 in the effects of mutation in region 2.4 on the activities of the two sigma factors are consistent with the pronounced differences between both the amino acid sequences in this region and the recognized promoter DNA sequences.

Gaussian basis functions for highly oscillatory scattering wavefunctions

NASA Astrophysics Data System (ADS)

Mant, B. P.; Law, M. M.

2018-04-01

We have applied a basis set of distributed Gaussian functions within the S-matrix version of the Kohn variational method to scattering problems involving deep potential energy wells. The Gaussian positions and widths are tailored to the potential using the procedure of Bačić and Light (1986 J. Chem. Phys. 85 4594) which has previously been applied to bound-state problems. The placement procedure is shown to be very efficient and gives scattering wavefunctions and observables in agreement with direct numerical solutions. We demonstrate the basis function placement method with applications to hydrogen atom–hydrogen atom scattering and antihydrogen atom–hydrogen atom scattering.

A study of complex scaling transformation using the Wigner representation of wavefunctions.

PubMed

Kaprálová-Ždánská, Petra Ruth

2011-05-28

The complex scaling operator exp(-θ ̂x̂p/ℏ), being a foundation of the complex scaling method for resonances, is studied in the Wigner phase-space representation. It is shown that the complex scaling operator behaves similarly to the squeezing operator, rotating and amplifying Wigner quasi-probability distributions of the respective wavefunctions. It is disclosed that the distorting effect of the complex scaling transformation is correlated with increased numerical errors of computed resonance energies and widths. The behavior of the numerical error is demonstrated for a computation of CO(2+) vibronic resonances. © 2011 American Institute of Physics

Emergent quantum mechanics without wavefunctions

NASA Astrophysics Data System (ADS)

Mesa Pascasio, J.; Fussy, S.; Schwabl, H.; Grössing, G.

2016-03-01

We present our model of an Emergent Quantum Mechanics which can be characterized by “realism without pre-determination”. This is illustrated by our analytic description and corresponding computer simulations of Bohmian-like “surreal” trajectories, which are obtained classically, i.e. without the use of any quantum mechanical tool such as wavefunctions. However, these trajectories do not necessarily represent ontological paths of particles but rather mappings of the probability density flux in a hydrodynamical sense. Modelling emergent quantum mechanics in a high-low intesity double slit scenario gives rise to the “quantum sweeper effect” with a characteristic intensity pattern. This phenomenon should be experimentally testable via weak measurement techniques.

Deviations from idealised geometries part 4: approximately tetrahedral molecules of form MX 2Y 2 studied by SCF and MP2 localised orbital calculations

NASA Astrophysics Data System (ADS)

Palmer, Michael H.

1997-03-01

Using the delocalised wavefunctions from Part 3, for a series of molecules of type MX 2Y 2 where M is tetravalent, and X, Y are either H, Me or halogen, with a triple-zeta plus polarisation basis and either SCF of MP2 methods, the wavefunctions were converted to localised orbitals by the Foster-Boys method. This enabled the LMO to be subject to population analysis for changes in hybridisation in the individual total density of the MX and MY bonds, and some quantitative discussion of the role of hybridisation in Bent's Rule.

Correlated random walks induced by dynamical wavefunction collapse

NASA Astrophysics Data System (ADS)

Bedingham, Daniel

2015-03-01

Wavefunction collapse models modify Schrödinger's equation so that it describes the collapse of a superposition of macroscopically distinguishable states as a genuine physical process [PRA 42, 78 (1990)]. This provides a basis for the resolution of the quantum measurement problem. An additional generic consequence of the collapse mechanism is that it causes particles to exhibit a tiny random diffusive motion. Furthermore, the diffusions of two sufficiently nearby particles are positively correlated -- it is more likely that the particles diffuse in the same direction than would happen if they behaved independently [PRA 89, 032713 (2014)]. The use of this effect is proposed as an experimental test of wave function collapse models in which pairs of nanoparticles are simultaneously released from nearby traps and allowed a brief period of free fall. The random displacements of the particles are then measured. The experiment must be carried out at sufficiently low temperature and pressure for the collapse effects to dominate over the ambient environmental noise. It is argued that these constraints can be satisfied by current technologies for a large class of viable wavefunction collapse models. Work supported by the Templeton World Charity Foundation.

Polaronic effects at finite temperatures in the B850 ring of the LH2 complex.

PubMed

Chorošajev, Vladimir; Rancova, Olga; Abramavicius, Darius

2016-03-21

Energy transfer and relaxation dynamics in the B850 ring of LH2 molecular aggregates are described, taking into account the polaronic effects, by a stochastic time-dependent variational approach. We explicitly include the finite temperature effects in the model by sampling the initial conditions of the vibrational states randomly. This is in contrast to previous applications of the variational approach, which consider only the zero-temperature case. The method allows us to obtain both the microscopic dynamics at the single-wavefunction level and the thermally averaged picture of excitation relaxation over a wide range of temperatures. Spectroscopic observables such as temperature dependent absorption and time-resolved fluorescence spectra are calculated. Microscopic wavefunction evolution is quantified by introducing the exciton participation (localization) length and the exciton coherence length. Their asymptotic temperature dependence demonstrates that the environmental polaronic effects range from exciton self-trapping and excitonic polaron formation at low temperatures to thermally induced state delocalization and decoherence at high temperatures. While the transition towards the polaronic state can be observed on the wavefunction level, it does not produce a discernible effect on the calculated spectroscopic observables.

A study of density effects in plasmas using analytical approximations for the self-consistent potential

NASA Astrophysics Data System (ADS)

Poirier, M.

2015-06-01

Density effects in ionized matter require particular attention since they modify energies, wavefunctions and transition rates with respect to the isolated-ion situation. The approach chosen in this paper is based on the ion-sphere model involving a Thomas-Fermi-like description for free electrons, the bound electrons being described by a full quantum mechanical formalism. This permits to deal with plasmas out of thermal local equilibrium, assuming only a Maxwell distribution for free electrons. For H-like ions, such a theory provides simple and rather accurate analytical approximations for the potential created by free electrons. Emphasis is put on the plasma potential rather than on the electron density, since the energies and wavefunctions depend directly on this potential. Beyond the uniform electron gas model, temperature effects may be analyzed. In the case of H-like ions, this formalism provides analytical perturbative expressions for the energies, wavefunctions and transition rates. Explicit expressions are given in the case of maximum orbital quantum number, and compare satisfactorily with results from a direct integration of the radial Schrödinger equation. Some formulas for lower orbital quantum numbers are also proposed.

First and second energy derivative analyses for open-shell self-consistent field wavefunctions

NASA Astrophysics Data System (ADS)

Yamaguchi, Yukio; Schaefer, Henry F., III; Frenking, Gernot

A study of first and second derivatives of the orbital, electronic, nuclear and total energies for the self-consistent field (SCF) wavefunction has been applied to general open-shell SCF systems. The diagonal elements of the Lagrangian matrix for the general open-shell SCF wavefunction are adapted as the 'oŕbital' energies. The first and second derivatives of the orbital energies in terms of the normal coordinates are determined via the finite difference method, while those of the electronic, nuclear and total energies are obtained by analytical techniques. Using three low lying states of the CH2 and H2CO molecules as examples, it is demonstrated that the derivatives of the SCF energetic quantities with respect to the normal coordinates provide useful chemical information concerning the respective molecular structures and reactivities. The conventional concept of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) has been extended to the molecular vibrational motion, and the terminology of vibrationally active MOs (va-MOs), va-HOMO and va-LUMO has been introduced for each normal coordinate. The energy derivative analysis method may be used as a powerful semi-quantitative modelin understanding and interpreting various chemical phenomena.

Accelerating wavefunction in density-functional-theory embedding by truncating the active basis set

NASA Astrophysics Data System (ADS)

Bennie, Simon J.; Stella, Martina; Miller, Thomas F.; Manby, Frederick R.

2015-07-01

Methods where an accurate wavefunction is embedded in a density-functional description of the surrounding environment have recently been simplified through the use of a projection operator to ensure orthogonality of orbital subspaces. Projector embedding already offers significant performance gains over conventional post-Hartree-Fock methods by reducing the number of correlated occupied orbitals. However, in our first applications of the method, we used the atomic-orbital basis for the full system, even for the correlated wavefunction calculation in a small, active subsystem. Here, we further develop our method for truncating the atomic-orbital basis to include only functions within or close to the active subsystem. The number of atomic orbitals in a calculation on a fixed active subsystem becomes asymptotically independent of the size of the environment, producing the required O ( N 0 ) scaling of cost of the calculation in the active subsystem, and accuracy is controlled by a single parameter. The applicability of this approach is demonstrated for the embedded many-body expansion of binding energies of water hexamers and calculation of reaction barriers of SN2 substitution of fluorine by chlorine in α-fluoroalkanes.

The "Forgotten" Pseudomomenta and Gauge Changes in Generalized Landau Level Problems: Spatially Nonuniform Magnetic and Temporally Varying Electric Fields

NASA Astrophysics Data System (ADS)

Konstantinou, Georgios; Moulopoulos, Konstantinos

2017-05-01

By perceiving gauge invariance as an analytical tool in order to get insight into the states of the "generalized Landau problem" (a charged quantum particle moving inside a magnetic, and possibly electric field), and motivated by an early article that correctly warns against a naive use of gauge transformation procedures in the usual Landau problem (i.e. with the magnetic field being static and uniform), we first show how to bypass the complications pointed out in that article by solving the problem in full generality through gauge transformation techniques in a more appropriate manner. Our solution provides in simple and closed analytical forms all Landau Level-wavefunctions without the need to specify a particular vector potential. This we do by proper handling of the so-called pseudomomentum ěc {{K}} (or of a quantity that we term pseudo-angular momentum L z ), a method that is crucially different from the old warning argument, but also from standard treatments in textbooks and in research literature (where the usual Landau-wavefunctions are employed - labeled with canonical momenta quantum numbers). Most importantly, we go further by showing that a similar procedure can be followed in the more difficult case of spatially-nonuniform magnetic fields: in such case we define ěc {{K}} and L z as plausible generalizations of the previous ordinary case, namely as appropriate line integrals of the inhomogeneous magnetic field - our method providing closed analytical expressions for all stationary state wavefunctions in an easy manner and in a broad set of geometries and gauges. It can thus be viewed as complementary to the few existing works on inhomogeneous magnetic fields, that have so far mostly focused on determining the energy eigenvalues rather than the corresponding eigenkets (on which they have claimed that, even in the simplest cases, it is not possible to obtain in closed form the associated wavefunctions). The analytical forms derived here for these wavefunctions enable us to also provide explicit Berry's phase calculations and a quick study of their connection to probability currents and to some recent interesting issues in elementary Quantum Mechanics and Condensed Matter Physics. As an added feature, we also show how the possible presence of an additional electric field can be treated through a further generalization of pseudomomenta and their proper handling.

Renormalization group, normal form theory and the Ising model

NASA Astrophysics Data System (ADS)

Raju, Archishman; Hayden, Lorien; Clement, Colin; Liarte, Danilo; Sethna, James

The results of the renormalization group are commonly advertised as the existence of power law singularities at critical points. Logarithmic and exponential corrections are seen as special cases and dealt with on a case-by-case basis. We propose to systematize computing the singularities in the renormalization group using perturbative normal form theory. This gives us a way to classify all such singularities in a unified framework and to generate a systematic machinery to do scaling collapses. We show that this procedure leads to some new results even in classic cases like the Ising model and has general applicability.

Optical phonon effect in quasi-one-dimensional semiconductor quantum wires: Band-gap renormalization

NASA Astrophysics Data System (ADS)

Dan, Nguyen Trung; Bechstedt, F.

1996-02-01

We present theoretical studies of dynamical screening in quasi-one-dimensional semiconductor quantum wires including electron-electron and electron-LO-phonon interactions. Within the random-phase approximation we obtain analytical expressions for screened interaction potentials. These expressions can be used to calculate the band-gap renormalization of quantum wires, which depends on the free-carrier density and temperature. We find that the optical phonon interaction effect plays a significant role in band-gap renormalization of quantum wires. The numerical results are compared with some recent experiment measurements as well as available theories.

QPROP: A Schrödinger-solver for intense laser atom interaction

NASA Astrophysics Data System (ADS)

Bauer, Dieter; Koval, Peter

2006-03-01

The QPROP package is presented. QPROP has been developed to study laser-atom interaction in the nonperturbative regime where nonlinear phenomena such as above-threshold ionization, high order harmonic generation, and dynamic stabilization are known to occur. In the nonrelativistic regime and within the single active electron approximation, these phenomena can be studied with QPROP in the most rigorous way by solving the time-dependent Schrödinger equation in three spatial dimensions. Because QPROP is optimized for the study of quantum systems that are spherically symmetric in their initial, unperturbed configuration, all wavefunctions are expanded in spherical harmonics. Time-propagation of the wavefunctions is performed using a split-operator approach. Photoelectron spectra are calculated employing a window-operator technique. Besides the solution of the time-dependent Schrödinger equation in single active electron approximation, QPROP allows to study many-electron systems via the solution of the time-dependent Kohn-Sham equations. Program summaryProgram title:QPROP Catalogue number:ADXB Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADXB Program obtainable from:CPC Program Library, Queen's University of Belfast, N. Ireland Computer on which program has been tested:PC Pentium IV, Athlon Operating system:Linux Program language used:C++ Memory required to execute with typical data:Memory requirements depend on the number of propagated orbitals and on the size of the orbitals. For instance, time-propagation of a hydrogenic wavefunction in the perturbative regime requires about 64 KB RAM (4 radial orbitals with 1000 grid points). Propagation in the strongly nonperturbative regime providing energy spectra up to high energies may need 60 radial orbitals, each with 30000 grid points, i.e. about 30 MB. Examples are given in the article. No. of bits in a word:Real and complex valued numbers of double precision are used No. of lines in distributed program, including test data, etc.:69 995 No. of bytes in distributed program, including test data, etc.: 2 927 567 Peripheral used:Disk for input-output, terminal for interaction with the user CPU time required to execute test data:Execution time depends on the size of the propagated orbitals and the number of time-steps Distribution format:tar.gz Nature of the physical problem:Atoms put into the strong field of modern lasers display a wealth of novel phenomena that are not accessible to conventional perturbation theory where the external field is considered small as compared to inneratomic forces. Hence, the full ab initio solution of the time-dependent Schrödinger equation is desirable but in full dimensionality only feasible for no more than two (active) electrons. If many-electron effects come into play or effective ground state potentials are needed, (time-dependent) density functional theory may be employed. QPROP aims at providing tools for (i) the time-propagation of the wavefunction according to the time-dependent Schrödinger equation, (ii) the time-propagation of Kohn-Sham orbitals according to the time-dependent Kohn-Sham equations, and (iii) the energy-analysis of the final one-electron wavefunction (or the Kohn-Sham orbitals). Method of solution:An expansion of the wavefunction in spherical harmonics leads to a coupled set of equations for the radial wavefunctions. These radial wavefunctions are propagated using a split-operator technique and the Crank-Nicolson approximation for the short-time propagator. The initial ground state is obtained via imaginary time-propagation for spherically symmetric (but otherwise arbitrary) effective potentials. Excited states can be obtained through the combination of imaginary time-propagation and orthogonalization. For the Kohn-Sham scheme a multipole expansion of the effective potential is employed. Wavefunctions can be analyzed using the window-operator technique, facilitating the calculation of electron spectra, either angular-resolved or integrated Restrictions onto the complexity of the problem:The coupling of the atom to the external field is treated in dipole approximation. The time-dependent Schrödinger solver is restricted to the treatment of a single active electron. As concerns the time-dependent density functional mode of QPROP, the Hartree-potential (accounting for the classical electron-electron repulsion) is expanded up to the quadrupole. Only the monopole term of the Krieger-Li-Iafrate exchange potential is currently implemented. As in any nontrivial optimization problem, convergence to the optimal many-electron state (i.e. the ground state) is not automatically guaranteed External routines/libraries used:The program uses the well established libraries BLAS, LAPACK, and F2C

Renormalization scheme dependence of high-order perturbative QCD predictions

NASA Astrophysics Data System (ADS)

Ma, Yang; Wu, Xing-Gang

2018-02-01

Conventionally, one adopts typical momentum flow of a physical observable as the renormalization scale for its perturbative QCD (pQCD) approximant. This simple treatment leads to renormalization scheme-and-scale ambiguities due to the renormalization scheme and scale dependence of the strong coupling and the perturbative coefficients do not exactly cancel at any fixed order. It is believed that those ambiguities will be softened by including more higher-order terms. In the paper, to show how the renormalization scheme dependence changes when more loop terms have been included, we discuss the sensitivity of pQCD prediction on the scheme parameters by using the scheme-dependent {βm ≥2}-terms. We adopt two four-loop examples, e+e-→hadrons and τ decays into hadrons, for detailed analysis. Our results show that under the conventional scale setting, by including more-and-more loop terms, the scheme dependence of the pQCD prediction cannot be reduced as efficiently as that of the scale dependence. Thus a proper scale-setting approach should be important to reduce the scheme dependence. We observe that the principle of minimum sensitivity could be such a scale-setting approach, which provides a practical way to achieve optimal scheme and scale by requiring the pQCD approximate be independent to the "unphysical" theoretical conventions.

Renormalization of Supersymmetric QCD on the Lattice

NASA Astrophysics Data System (ADS)

Costa, Marios; Panagopoulos, Haralambos

2018-03-01

We perform a pilot study of the perturbative renormalization of a Supersymmetric gauge theory with matter fields on the lattice. As a specific example, we consider Supersymmetric N=1 QCD (SQCD). We study the self-energies of all particles which appear in this theory, as well as the renormalization of the coupling constant. To this end we compute, perturbatively to one-loop, the relevant two-point and three-point Green's functions using both dimensional and lattice regularizations. Our lattice formulation involves theWilson discretization for the gluino and quark fields; for gluons we employ the Wilson gauge action; for scalar fields (squarks) we use naive discretization. The gauge group that we consider is SU(Nc), while the number of colors, Nc, the number of flavors, Nf, and the gauge parameter, α, are left unspecified. We obtain analytic expressions for the renormalization factors of the coupling constant (Zg) and of the quark (ZΨ), gluon (Zu), gluino (Zλ), squark (ZA±), and ghost (Zc) fields on the lattice. We also compute the critical values of the gluino, quark and squark masses. Finally, we address the mixing which occurs among squark degrees of freedom beyond tree level: we calculate the corresponding mixing matrix which is necessary in order to disentangle the components of the squark field via an additional finite renormalization.

SigmaS controls multiple pathways associated with intracellular multiplication of Legionella pneumophila.

PubMed

Hovel-Miner, Galadriel; Pampou, Sergey; Faucher, Sebastien P; Clarke, Margaret; Morozova, Irina; Morozov, Pavel; Russo, James J; Shuman, Howard A; Kalachikov, Sergey

2009-04-01

Legionella pneumophila is the causative agent of the severe and potentially fatal pneumonia Legionnaires' disease. L. pneumophila is able to replicate within macrophages and protozoa by establishing a replicative compartment in a process that requires the Icm/Dot type IVB secretion system. The signals and regulatory pathways required for Legionella infection and intracellular replication are poorly understood. Mutation of the rpoS gene, which encodes sigma(S), does not affect growth in rich medium but severely decreases L. pneumophila intracellular multiplication within protozoan hosts. To gain insight into the intracellular multiplication defect of an rpoS mutant, we examined its pattern of gene expression during exponential and postexponential growth. We found that sigma(S) affects distinct groups of genes that contribute to Legionella intracellular multiplication. We demonstrate that rpoS mutants have a functional Icm/Dot system yet are defective for the expression of many genes encoding Icm/Dot-translocated substrates. We also show that sigma(S) affects the transcription of the cpxR and pmrA genes, which encode two-component response regulators that directly affect the transcription of Icm/Dot substrates. Our characterization of the L. pneumophila small RNA csrB homologs, rsmY and rsmZ, introduces a link between sigma(S) and the posttranscriptional regulator CsrA. We analyzed the network of sigma(S)-controlled genes by mutational analysis of transcriptional regulators affected by sigma(S). One of these, encoding the L. pneumophila arginine repressor homolog gene, argR, is required for maximal intracellular growth in amoebae. These data show that sigma(S) is a key regulator of multiple pathways required for L. pneumophila intracellular multiplication.

Grain boundary character, and carbide size and spatial distribution in a ternary nickel alloy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, H.; Gao, M.; Harlow, D.G.

1995-06-01

A preliminary investigation of the grain boundary character and its relationship to carbide distribution in a Ni-18Cr-18Fe ternary alloy was conducted. The results showed that there was a strong preference for the formation of {Sigma}3 (44.6%) and twin-related {Sigma}9 and {Sigma}27 CSL boundaries. If the coherent {Sigma}3{sub c} twin and the twin-related boundaries are excluded, then the distribution would consist of nearly 80% random (high angle) boundaries and about 20% CSL (with {Sigma} {<=} 49) boundaries. The size and spacing of grain boundary carbides were influenced by grain boundary {Sigma}; the carbides being smaller and more closely spaced on themore » {Sigma}1, {Sigma}9 and {Sigma}27 boundaries, and none could be resolved on the coherent {Sigma}3 twin boundaries. The results could be understood, in part, in terms of the influence of grain boundary energy, but the understanding is incomplete. Further studies are in progress and will be reported.« less

Sigma1 Pharmacology in the Context of Cancer.

PubMed

Kim, Felix J; Maher, Christina M

2017-01-01

Sigma1 (also known as sigma-1 receptor, Sig1R, σ1 receptor) is a unique pharmacologically regulated integral membrane chaperone or scaffolding protein. The majority of publications on the subject have focused on the neuropharmacology of Sigma1. However, a number of publications have also suggested a role for Sigma1 in cancer. Although there is currently no clinically used anti-cancer drug that targets Sigma1, a growing body of evidence supports the potential of Sigma1 ligands as therapeutic agents to treat cancer. In preclinical models, compounds with affinity for Sigma1 have been reported to inhibit cancer cell proliferation and survival, cell adhesion and migration, tumor growth, to alleviate cancer-associated pain, and to have immunomodulatory properties. This review will highlight that although the literature supports a role for Sigma1 in cancer, several fundamental questions regarding drug mechanism of action and the physiological relevance of aberrant SIGMAR1 transcript and Sigma1 protein expression in certain cancers remain unanswered or only partially answered. However, emerging lines of evidence suggest that Sigma1 is a component of the cancer cell support machinery, that it facilitates protein interaction networks, that it allosterically modulates the activity of its associated proteins, and that Sigma1 is a selectively multifunctional drug target.

Development and initial test of the University of Wisconsin global isentropic-sigma model

NASA Technical Reports Server (NTRS)

Zapotocny, Tom H.; Johnson, Donald R.; Reames, Fred M.

1994-01-01

The description of a global version of the University of Wisconsin (UW) hybrid isentropic-sigma (theta-sigma) model and the results from an initial numerical weather prediction experiment are presented in this paper. The main objectives of this initial test are to (1) discuss theta-sigma model development and computer requirements, (2) demonstrate the ability of the UW theta-sigma model for global numerical weather prediction using realistic orography and parameterized physical processes, and (3) compare the transport of an inert trace constituent against a nominally 'identical' sigma coordinate model. Initial and verifying data for the 5-day simulations presented in this work were supplied by the Goddard Earth Observing System (GEOS-1) data assimilation system. The time period studied is 1-6 February 1985. This validation experiment demonstrates that the global UW theta-sigma model produces a realistic 5-day simulation of the mass and momentum distributions when compared to both the identical sigma model and GEOS-1 verification. Root-mean-square errors demonstrate that the theta-sigma model is slightly more accurate than the nominally identical sigma model with respect to standard synoptic variables. Of particular importance, the UW theta-sigma model displays a distinct advantage over the conventional sigma model with respect to the prognostic simulation of inert trace constituent transport in amplifying baroclinic waves of the extratropics. This is especially true in the upper troposphere and stratosphere where the spatial integrity and conservation of an inert trace constituent is severely compromised in the sigma model compared to the theta-sigma model.

THE L{proportional_to}{sigma}{sup 8} CORRELATION FOR ELLIPTICAL GALAXIES WITH CORES: RELATION WITH BLACK HOLE MASS

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kormendy, John; Bender, Ralf, E-mail: kormendy@astro.as.utexas.edu, E-mail: bender@mpe.mpg.de

We construct the Faber-Jackson correlation between velocity dispersion {sigma} and total galaxy luminosity L{sub V} separately for elliptical galaxies with and without cores. The coreless ellipticals show the well-known, steep relationship dlog {sigma}/dlog L{sub V} = 0.268 or L{sub V} {proportional_to}{sigma}{sup 3.74}. This corresponds to dlog {sigma}/dlog M = 0.203, where M is the stellar mass and we use M/L{proportional_to}L {sup 0.32}. In contrast, the velocity dispersions of core ellipticals increase much more slowly with L{sub V} and M: dlog {sigma}/dlog L{sub V} = 0.120, L{sub V} {proportional_to}{sigma}{sup 8.33}, and dlog {sigma}/dlog M = 0.091. Dissipationless major galaxy mergers aremore » expected to preserve {sigma} according to the simplest virial-theorem arguments. However, numerical simulations show that {sigma} increases slowly in dry major mergers, with dlog {sigma}/dlog M {approx_equal} +0.15. In contrast, minor mergers cause {sigma} to decrease, with dlog {sigma}/dlog M {approx_equal} -0.05. Thus, the observed relation argues for dry major mergers as the dominant growth mode of the most massive ellipticals. This is consistent with what we know about the formation of cores. We know no viable way to explain galaxy cores except through dissipationless mergers of approximately equal-mass galaxies followed by core scouring by binary supermassive black holes. The observed, shallow {sigma}{proportional_to}L{sub V}{sup +0.12} relation for core ellipticals provides further evidence that they formed in dissipationless and predominantly major mergers. Also, it explains the observation that the correlation of supermassive black hole mass with velocity dispersion, M{sub .}{proportional_to}{sigma}{sup 4}, ''saturates'' at high M{sub .} such that M{sub .} becomes almost independent of {sigma}.« less

Renormalized Polyakov loop in the deconfined phase of SU(N) gauge theory and gauge-string duality.

PubMed

Andreev, Oleg

2009-05-29

We use gauge-string duality to analytically evaluate the renormalized Polyakov loop in pure Yang-Mills theories. For SU(3), the result is in quite good agreement with lattice simulations for a broad temperature range.

Convergence behavior of the random phase approximation renormalized correlation energy

NASA Astrophysics Data System (ADS)

Bates, Jefferson E.; Sensenig, Jonathon; Ruzsinszky, Adrienn

2017-05-01

Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013), 10.1063/1.4827254] is a robust many-body perturbation theory that works for molecules and materials because it does not diverge as the Kohn-Sham gap approaches zero. Additionally, RPA renormalization enables the simultaneous calculation of RPA and beyond-RPA correlation energies since the total correlation energy is the sum of a series of independent contributions. The first-order approximation (RPAr1) yields the dominant beyond-RPA contribution to the correlation energy for a given exchange-correlation kernel, but systematically underestimates the total beyond-RPA correction. For both the homogeneous electron gas model and real systems, we demonstrate numerically that RPA renormalization beyond first order converges monotonically to the infinite-order beyond-RPA correlation energy for several model exchange-correlation kernels and that the rate of convergence is principally determined by the choice of the kernel and spin polarization of the ground state. The monotonic convergence is rationalized from an analysis of the RPA renormalized correlation energy corrections, assuming the exchange-correlation kernel and response functions satisfy some reasonable conditions. For spin-unpolarized atoms, molecules, and bulk solids, we find that RPA renormalization is typically converged to 1 meV error or less by fourth order regardless of the band gap or dimensionality. Most spin-polarized systems converge at a slightly slower rate, with errors on the order of 10 meV at fourth order and typically requiring up to sixth order to reach 1 meV error or less. Slowest to converge, however, open-shell atoms present the most challenging case and require many higher orders to converge.

Charged plate in asymmetric electrolytes: One-loop renormalization of surface charge density and Debye length due to ionic correlations.

PubMed

Ding, Mingnan; Lu, Bing-Sui; Xing, Xiangjun

2016-10-01

Self-consistent field theory (SCFT) is used to study the mean potential near a charged plate inside a m:-n electrolyte. A perturbation series is developed in terms of g=4πκb, where band1/κ are Bjerrum length and bare Debye length, respectively. To the zeroth order, we obtain the nonlinear Poisson-Boltzmann theory. For asymmetric electrolytes (m≠n), the first order (one-loop) correction to mean potential contains a secular term, which indicates the breakdown of the regular perturbation method. Using a renormalizaton group transformation, we remove the secular term and obtain a globally well-behaved one-loop approximation with a renormalized Debye length and a renormalized surface charge density. Furthermore, we find that if the counterions are multivalent, the surface charge density is renormalized substantially downwards and may undergo a change of sign, if the bare surface charge density is sufficiently large. Our results agrees with large MC simulation even when the density of electrolytes is relatively high.

Sign Reversal of Coulom Interaction Between Two Quasiparticles in Momentum Space

NASA Astrophysics Data System (ADS)

Fan, J. D.; Malozovsky, Yuriy M.

2013-06-01

The main misconception regarding the interaction between quasiparticles stems from the assertion that the interaction energy between two quasiparticles is exactly identical to that of the renormalized interaction between two particles due to interparticle interaction in the Fermi system. If the main concept regarding the definition of quasiparticle as a weakly excited state of the Fermi system with conservation of charge and spin is paramount (except for the charge and spin separation models), the concept of the interaction between quasiparticles is very different from the assumption in the common sense. In this paper, we will prove a general theorem that the interaction between two quasiparticles is very much different from the renormalized interaction between two particles. The major difference lies in two places: the interaction between two quasiparticles is just negative to the renormalized interaction between two particles, and the interaction energy between the two particles is proportional to the product of two Fermi liquid renormalization factors. The result shed light on the reinterpretation of Cooper's pairing without invoking electron-photon interaction.

Singlet vs Nonsinglet Perturbative Renormalization factors of Staggered Fermion Bilinears

NASA Astrophysics Data System (ADS)

Panagopoulos, Haralambos; Spanoudes, Gregoris

2018-03-01

In this paper we present the perturbative computation of the difference between the renormalization factors of flavor singlet (Σfψ¯fΓψf', f : flavor index) and nonsinglet (ψ¯f1Γψf2,f1 ≠ f2) bilinear quark operators (where Γ = 𝟙, γ5, γ µ, γ5 γ µ, γ5 σµv on the lattice. The computation is performed to two loops and to lowest order in the lattice spacing, using Symanzik improved gluons and staggered fermions with twice stout-smeared links. The stout smearing procedure is also applied to the definition of bilinear operators. A significant part of this work is the development of a method for treating some new peculiar divergent integrals stemming from the staggered formalism. Our results can be combined with precise simulation results for the renormalization factors of the nonsinglet operators, in order to obtain an estimate of the renormalization factors for the singlet operators. The results have been published in Physical Review D [1].

Nonlinear Gyro-Landau-Fluid Equations

NASA Astrophysics Data System (ADS)

Raskolnikov, I.; Mattor, Nathan; Parker, Scott E.

1996-11-01

We present fluid equations which describe the effects of both linear and nonlinear Landau damping (wave-particle-wave effects). These are derived using a recently developed analytical method similar to renormalization group theory. (Scott E. Parker and Daniele Carati, Phys. Rev. Lett. 75), 441 (1995). In this technique, the phase space structure inherent in Landau damping is treated analytically by building a ``renormalized collisionality'' onto a bare collisionality (which may be taken as vanishingly small). Here we apply this technique to the nonlinear ion gyrokinetic equation in slab geometry, obtaining nonlinear fluid equations for density, parallel momentum and heat. Wave-particle resonances are described by two functions appearing in the heat equation: a renormalized ``collisionality'' and a renormalized nonlinear coupling coeffient. It will be shown that these new equations may correct a deficiency in existing gyrofluid equations, (G. W. Hammett and F. W. Perkins, Phys. Rev. Lett. 64,) 3019 (1990). which can severely underestimate the strength of nonlinear interaction in regimes where linear resonance is strong. (N. Mattor, Phys. Fluids B 4,) 3952 (1992).

Controlling sign problems in spin models using tensor renormalization

NASA Astrophysics Data System (ADS)

Denbleyker, Alan; Liu, Yuzhi; Meurice, Y.; Qin, M. P.; Xiang, T.; Xie, Z. Y.; Yu, J. F.; Zou, Haiyuan

2014-01-01

We consider the sign problem for classical spin models at complex β =1/g02 on L ×L lattices. We show that the tensor renormalization group method allows reliable calculations for larger Imβ than the reweighting Monte Carlo method. For the Ising model with complex β we compare our results with the exact Onsager-Kaufman solution at finite volume. The Fisher zeros can be determined precisely with the tensor renormalization group method. We check the convergence of the tensor renormalization group method for the O(2) model on L×L lattices when the number of states Ds increases. We show that the finite size scaling of the calculated Fisher zeros agrees very well with the Kosterlitz-Thouless transition assumption and predict the locations for larger volume. The location of these zeros agree with Monte Carlo reweighting calculation for small volume. The application of the method for the O(2) model with a chemical potential is briefly discussed.

Bioaccumulation of organochlorine contaminants in bowhead whales (Balaena mysticetus) from Barrow, Alaska.

PubMed

Hoekstra, P F; O'Hara, T M; Pallant, S J; Solomon, K R; Muir, D C G

2002-05-01

Bowhead whale (Balaena mysticetus) blubber (n = 72) and liver (n = 23) samples were collected during seven consecutive subsistence harvests (1997-2000) at Barrow, Alaska, to investigate the bioaccumulation of organochlorine contaminants (OCs) by this long-lived mysticete. The rank order of OC group concentrations (geometric mean, wet weight) in bowhead blubber samples were toxaphene (TOX; 455 ng/g) > polychlorinated biphenyls (SigmaPCBs; 410 ng/g) > dichlorodiphenyltrichloroethane-related compounds (SigmaDDT; 331 ng/g) >or= hexachlorocyclohexane isomers (SigmaHCHs; 203 ng/g) >or= chlordanes and related isomers (SigmaCHLOR; 183 ng/g) > chlorobenzenes (SigmaCIBz; 106 ng/g). In liver, SigmaHCH (9.5 ng/g; wet weight) was the most abundant SigmaOC group, followed by SigmaPCBs (9.1 ng/g) >or= TOX (8.8 ng/g) > SigmaCHLOR (5.5 ng/g) > SigmaCIBz (4.2 ng/g) >or= SigmaDDT (3.7 ng/g). The dominant analyte in blubber and liver was p,p'-DDE and alpha-HCH, respectively. Total TOX, SigmaPCBs, SigmaDDT, and SigmaCHLOR concentrations in blubber generally increased with age of male whales (as interpreted by body length), but this relationship was not significant for adult female whales. Biomagnification factor (BMF) values (0.1-45.5) for OCs from zooplankton (Calanus sp.) to bowhead whale were consistent with findings for other mysticetes. Tissue-specific differences in OC patterns in blubber and liver may be attributed to variation of tissue composition and the relatively low capacity of this species to biotransform various OCs. Principal component analysis of contaminants levels in bowhead blubber samples suggest that proportions of OCs, such as beta-HCH, fluctuate with seasonal migration of this species between the Bering, Chukchi, and Beaufort Seas.

Characterization of 4-Nitrophenylpropyl-N-alkylamine Interactions with Sigma Receptors

PubMed Central

Chu, Uyen B.; Hajipour, Abdol R.; Ramachandran, Subramaniam; Ruoho, Arnold E.

2011-01-01

Sigma receptors are small membrane proteins implicated in a number of pathophysiological conditions including drug addiction, psychosis and cancer; thus, small molecule inhibitors of sigma receptors have been proposed as potential pharmacotherapeutics for these diseases. We previously discovered that endogenous monochain N-alkyl sphingolipids including D-erythro-sphingosine, sphinganine, and N,N-dimethyl sphingosine bind to the sigma-1 receptor at physiologically relevant concentrations [Ramachandran et al. 2009 Eur J Pharmacol. 609(1–3):19–26]. Here, we investigated several N-alkylamines of varying chain lengths as sigma receptor ligands. Although the KI values for N-alkylamines were found to be in the micromolar range, when N-3-phenylpropyl and N-3-(4-nitrophenyl)propyl derivatives of butyl- (1a and 1b), heptyl- (2a and 2b), dodecyl- (3a and 3b), and octadecyl-amine (4a and 4b) were evaluated as sigma receptor ligands we found that these compounds exhibited nanomolar affinities with both sigma-1 and sigma-2 receptors. A screen of the high affinity ligands 2a, 2b, 3a and 3b against a variety of other receptors/transporters confirmed these four compounds to be highly selective mixed sigma-1 and sigma-2 ligands. Additionally, in HEK293 cells reconstituted with Kv1.4 potassium channel and the sigma-1 receptor, these derivatives were able to inhibit the outward current from the channel – consistent with sigma receptor modulation. Finally, cytotoxicity assays showed that 2a, 2b, 3a and 3b were highly potent against a number of cancer cell lines, demonstrating their potential utility as mixed sigma-1 and sigma-2 receptor anti-cancer agents. PMID:21790129

Studies of the Escherichia coli Rsd-sigma70 complex.

PubMed

Westblade, Lars F; Ilag, Leopold L; Powell, Andrew K; Kolb, Annie; Robinson, Carol V; Busby, Stephen J W

2004-01-16

Escherichia coli Rsd protein was previously identified on the basis of its binding to the RNA polymerase sigma(70) subunit. The Rsd-sigma(70) complex has been studied using different methods. Our data show that Rsd associates with sigma(70) to form a complex with a stoichiometry of 1:1. Alanine scanning and deletion mutagenesis were used to locate regions of sigma(70) that are required for the formation of the Rsd-sigma(70) complex.

Study of. lambda. parameters and crossover phenomena in SU(N) x SU(N) sigma models in two dimensions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shigemitsu, J; Kogut, J B

1981-01-01

The spin system analogues of recent studies of the string tension and ..lambda.. parameters of SU(N) gauge theories in 4 dimensions are carried out for the SU(N) x SU(N) and O(N) models in 2 dimensions. The relations between the ..lambda.. parameters of both the Euclidean and Hamiltonian formulation of the lattice models and the ..lambda.. parameter of the continuum models are obtained. The one loop finite renormalization of the speed of light in the lattice Hamiltonian formulations of the O(N) and SU(N) x SU(N) models is calculated. Strong coupling calculations of the mass gaps of these spin models are donemore » for all N and the constants of proportionality between the gap and the ..lambda.. parameter of the continuum models are obtained. These results are contrasted with similar calculations for the SU(N) gauge models in 3+1 dimensions. Identifying suitable coupling constants for discussing the N ..-->.. infinity limits, the numerical results suggest that the crossover from weak to strong coupling in the lattice O(N) models becomes less abrupt as N increases while the crossover for the SU(N) x SU(N) models becomes more abrupt. The crossover in SU(N) gauge theories also becomes more abrupt with increasing N, however, at an even greater rate than in the SU(N) x SU(N) spin models.« less

Random sequential renormalization and agglomerative percolation in networks: application to Erdös-Rényi and scale-free graphs.

PubMed

Bizhani, Golnoosh; Grassberger, Peter; Paczuski, Maya

2011-12-01

We study the statistical behavior under random sequential renormalization (RSR) of several network models including Erdös-Rényi (ER) graphs, scale-free networks, and an annealed model related to ER graphs. In RSR the network is locally coarse grained by choosing at each renormalization step a node at random and joining it to all its neighbors. Compared to previous (quasi-)parallel renormalization methods [Song et al., Nature (London) 433, 392 (2005)], RSR allows a more fine-grained analysis of the renormalization group (RG) flow and unravels new features that were not discussed in the previous analyses. In particular, we find that all networks exhibit a second-order transition in their RG flow. This phase transition is associated with the emergence of a giant hub and can be viewed as a new variant of percolation, called agglomerative percolation. We claim that this transition exists also in previous graph renormalization schemes and explains some of the scaling behavior seen there. For critical trees it happens as N/N(0) → 0 in the limit of large systems (where N(0) is the initial size of the graph and N its size at a given RSR step). In contrast, it happens at finite N/N(0) in sparse ER graphs and in the annealed model, while it happens for N/N(0) → 1 on scale-free networks. Critical exponents seem to depend on the type of the graph but not on the average degree and obey usual scaling relations for percolation phenomena. For the annealed model they agree with the exponents obtained from a mean-field theory. At late times, the networks exhibit a starlike structure in agreement with the results of Radicchi et al. [Phys. Rev. Lett. 101, 148701 (2008)]. While degree distributions are of main interest when regarding the scheme as network renormalization, mass distributions (which are more relevant when considering "supernodes" as clusters) are much easier to study using the fast Newman-Ziff algorithm for percolation, allowing us to obtain very high statistics.

Setting the renormalization scale in pQCD: Comparisons of the principle of maximum conformality with the sequential extended Brodsky-Lepage-Mackenzie approach

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ma, Hong -Hao; Wu, Xing -Gang; Ma, Yang

A key problem in making precise perturbative QCD (pQCD) predictions is how to set the renormalization scale of the running coupling unambiguously at each finite order. The elimination of the uncertainty in setting the renormalization scale in pQCD will greatly increase the precision of collider tests of the Standard Model and the sensitivity to new phenomena. Renormalization group invariance requires that predictions for observables must also be independent on the choice of the renormalization scheme. The well-known Brodsky-Lepage-Mackenzie (BLM) approach cannot be easily extended beyond next-to-next-to-leading order of pQCD. Several suggestions have been proposed to extend the BLM approach tomore » all orders. In this paper we discuss two distinct methods. One is based on the “Principle of Maximum Conformality” (PMC), which provides a systematic all-orders method to eliminate the scale and scheme ambiguities of pQCD. The PMC extends the BLM procedure to all orders using renormalization group methods; as an outcome, it significantly improves the pQCD convergence by eliminating renormalon divergences. An alternative method is the “sequential extended BLM” (seBLM) approach, which has been primarily designed to improve the convergence of pQCD series. The seBLM, as originally proposed, introduces auxiliary fields and follows the pattern of the β0-expansion to fix the renormalization scale. However, the seBLM requires a recomputation of pQCD amplitudes including the auxiliary fields; due to the limited availability of calculations using these auxiliary fields, the seBLM has only been applied to a few processes at low orders. In order to avoid the complications of adding extra fields, we propose a modified version of seBLM which allows us to apply this method to higher orders. As a result, we then perform detailed numerical comparisons of the two alternative scale-setting approaches by investigating their predictions for the annihilation cross section ratio R e+e– at four-loop order in pQCD.« less

Running Head: Implementing Six Sigma Efforts

ERIC Educational Resources Information Center

Lindsay, Jamie Eleaitia Mae

2005-01-01

Six Sigma is an organization wide program that provides common set of goals, language, and methodology for improving the overall quality of the processes within the organization (Davis & Heineke 2004). Six Sigma main concern is for the customer. What will the customers want? Need? Six Sigma has a model that helps Sigma get implemented DMAIC model…

Regulation of antimicrobial resistance by extracytoplasmic function (ECF) sigma factors

PubMed Central

Woods, Emily C.; McBride, Shonna M.

2017-01-01

Extracytoplasmic function (ECF) sigma factors are a subfamily of σ70 sigma factors that activate genes involved in stress-response functions. In many bacteria, ECF sigma factors regulate resistance to antimicrobial compounds. This review will summarize the ECF sigma factors that regulate antimicrobial resistance in model organisms and clinically relevant pathogens. PMID:28153747

Radiometric errors in complex Fourier transform spectrometry.

PubMed

Sromovsky, Lawrence A

2003-04-01

A complex spectrum arises from the Fourier transform of an asymmetric interferogram. A rigorous derivation shows that the rms noise in the real part of that spectrum is indeed given by the commonly used relation sigmaR = 2X x NEP/(etaAomega square root(tauN)), where NEP is the delay-independent and uncorrelated detector noise-equivalent power per unit bandwidth, +/- X is the delay range measured with N samples averaging for a time tau per sample, eta is the system optical efficiency, and Aomega is the system throughput. A real spectrum produced by complex calibration with two complex reference spectra [Appl. Opt. 27, 3210 (1988)] has a variance sigmaL2 = sigmaR2 + sigma(c)2 (Lh - Ls)2/(Lh - Lc)2 + sigma(h)2 (Ls - Lc)2/(Lh - Lc)2, valid for sigmaR, sigma(c), and sigma(h) small compared with Lh - Lc, where Ls, Lh, and Lc are scene, hot reference, and cold reference spectra, respectively, and sigma(c) and sigma(h) are the respective combined uncertainties in knowledge and measurement of the hot and cold reference spectra.

Experimental and Coupled-channels Investigation of the Radiative Properties of the N2 c4 (sup 1)Sigma+(sub u) - X (sup 1)Sigma+(sub g) Band System

NASA Technical Reports Server (NTRS)

Liu, Xianming; Shemansky, Donald E.; Malone, Charles P.; Johnson, Paul V.; Ajello, Joseph M.; Kanik, Isik; Heays, Alan N.; Lewis, Brenton R.; Gibson, Stephen T.; Stark, Glenn

2008-01-01

The emission properties of the N2 c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) band system have been investigated in a joint experimental and coupled-channels theoretical study. Relative intensities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u)(0) - Chi (sup 1)Sigma+(sub g)(v(sub i)) transitions, measured via electron-impact-induced emission spectroscopy, are combined with a coupled-channel Schroedinger equation (CSE) model of the N2 molecule, enabling determination of the diabatic electronic transition moment for the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) system as a function of internuclear distance. The CSE probabilities are further verified by comparison with a high-resolution experimental spectrum. Spontaneous transition probabilities of the c(sup prime)(sub 4) (sup 1)Sigma+(sub u) - Chi (sup 1)Sigma+(sub g) modeling atmospheric emission, can now be calculated reliably.

Strong and Electroweak Matter 2004

NASA Astrophysics Data System (ADS)

Eskola, Kari J.; Kainulainen, Kimmo; Kajantie, Keijo; Rummukainen, Kari

RHIC experimental summary: the message from pp, d+Au and Au+Au collisions / M. Calderón de la Barca Sánchez -- Hydrodynamic aspects of relativistic heavy ion collisions at RHIC / P. F. Kolb -- Photon emission in a hot QCD plasma / P. Aurenche -- In search of the saturation scale: intrinsic features of the CGC / H. Weigert -- From leading hadron suppression to jet quenching at RHIC and LHC / U. A. Wiedemann -- Lattice simulations with chemical potential / C. Schmidt -- Mesonic correlators in hot QCD / M. Laine -- Thermalization and plasma instabilities / P. Arnold -- Transport coefficients in hot QCD / G. D. Moore -- Classical fields and heavy ion collisions / T. Lappi -- Progress in nonequilibrium quantum field theory II / J. Berges and J. Serreau -- A general effective theory for dense quark matter / P. T. Reuter, Q. Wang and D. H. Rischke -- Thermal leptogenesis / M. Plümacher -- Cold electroweak Baryogenesis / J. Smit -- Proton-nucleus collisions in the color glass condensate framework / J.-P. Blaizot, F. Gelis and R. Venugopalan -- From classical to quantum saturation in the nuclear wavefunction / D. N. Triantafyllopoulos -- Charge correlations in heavy ion collisions / A. Rajantie -- Whitening of the quark-gluon plasma / S. Mrówczyński -- Progress in anisotropic plasma physics / P. Romatschke and M. Strickland -- Deconfinement and chiral symmetry: competing orders / K. Tuominen -- Relation between the chiral and deconfinement phase transitions / Y. Hatta -- Renormalized Polyakov loops, matrix models and the Gross-Witten point / A. Dumitru and J. T. Lenaghan -- The nature of the soft excitation at the critical end point of QCD / A. Jakovác ... [et al.] -- Thermodynamics of the 1+1-dimensional nonlinear sigma model through next-to-leading order in 1/N / H. J. Warringa -- Light quark meson correlations at high temperature / E. Laemann ... [et al.] -- Charmonia at finite momenta in a deconfined plasma / S. Datta ... [et al.] -- QCD thermodynamics: lattice results confront models / M. D'Elia and M. P. Lombardo -- Singlet free energies of a static quark-antiquark pair / K. Petrov -- Contributions to transport theory from multi-particle interactions and production processes / M. E. Carrington -- Transport coefficients and the 2PI effective action in the large N limit / G. Aarts and J. M. Martinez Resco -- Thermal features far from equilibrium: prethermalization / S. Borsányi -- QCD phase diagram at small Baryon densities from imaginary [symbol]: status report / O. Philipsen and Ph. de Forcrand -- Two loop renormalisation of the magnetic coupling in hot QCD and spatial Wilson loop / P. Giovannangeli -- Thermodynamics of deconfined QCD at small and large chemical potential / A. Ipp -- Evading the infrared problem of thermal QCD / Y. Schroder -- Chiral mesons in hot matter / A. Gómez Nicola, F. J. Llanes-Estrada and J. R. Peláez -- Thermal production of axinos in the early universe / A. Brandenburg and F. D. Steffen -- The 2-PI-1/N approximation applied to tachyonic preheating / A. Tranberg, A. Arrizabalaga and J. Smit -- Nonequilibrium dynamics in scalar hybrid models / J. Baacke and A. Heinen -- Photon mass in inflation and nearly minimal magnetogenesis / T. Prokopec -- Transport equations for chiral fermions to order [symbol] and electroweak Baryogenesis / S. Weinstock, M. G. Schmidt and T. Prokopec -- The gapless 2SC phase / M. Huang and I. A. Shovkovy -- Gapless CFL and its competition with mixed phases / M. Alford, C. Kouvaris and K. Rajagopal -- Transport coefficients in color superconducting quark matter / C. Manuel -- Renormalization and resummation in finite temperature field theories / A. Jakovác and Zs. Szép -- Renormalization and gauge symmetry for 2PI effective actions / U. Reinosa -- Out-of-equilibrium massless Schwinger model / R. F. Alvarez-Estrada -- Selfconsistent calculations of hadrons at finite temperature / C. Beckmann -- Fermion production in classical fields / D. D. Dietrich -- Numerical study of the equation of state for two flavor QCD at non-zero Baryon density / S. Ejiri ... [et al.] -- Phase conversion after a chiral transition: effects from inhomogeneities and finite size / E. S. Fraga -- Coherent Baryogenesis and nonthermal leptogenesis: a comparison / B. Garbrecht, T. Prokopec and M. G. Schmidt -- Two aspects of color superconductivity: gauge independence and neutrality / A. Gerhold -- QCD phase diagram in nonlocal chiral quark models / D. Gómez Dumm -- QCD equation of state and dark matter / M. Hindmarsh and O. Philipsen -- Analytical approach to SU(2) Yang-Mills thermodynamics / R. Hofmann -- Free energies of static three quark systems / K. Hübner ... [et al.] -- Color ferromagnetic state of dense quark matter / A. Iwazaki -- Axial currents from CKM matrix CP violation and electroweak Baryogenesis / T. Konstandin -- Dilute monopole gas, and K-tensions in gluodynamics / C. P. Korthals Altes and P. Giovannangeli -- Infrared QCD and the renormalisation group / D. F. Litim ... [et al.] -- Residual confinement in high-temperature Yang-Mills theory / A. Maas ... [et al.] -- Scalar O(N) model at finite temperature - 2PI effective potential in different approximations / J. Baacke and S. Michalski -- Cutoff effects in meson spectral functions / T. Blum and P. Petreczky -- Anomalous specific heat in ultradegenerate QED and QCD / A. Gerhold, A. Ipp and A. Rebhan -- Color-superconducting phases in cold and dense quark matter / A. Schmitt -- Non fermi liquid effects in dense matter and compact star cooling / K. Schwenzer and T. Schäfer -- Prethermalisation and the build-up of the Higgs effect / D. Sexty and A. Patkós -- Vector meson at non-zero Baryon density and zero sound / S. J. Hands and C. G. Strouthos -- Impact of Baryon resonances on the chiral phase transition / D. Zschiesche ... [et al.].

Close encounters of the third-body kind. [intruding bodies in binary star systems

NASA Technical Reports Server (NTRS)

Davies, M. B.; Benz, W.; Hills, J. G.

1994-01-01

We simulated encounters involving binaries of two eccentricities: e = 0 (i.e., circular binaries) and e = 0.5. In both cases the binary contained a point mass of 1.4 solar masses (i.e., a neutron star) and a 0.8 solar masses main-sequence star modeled as a polytrope. The semimajor axes of both binaries were set to 60 solar radii (0.28 AU). We considered intruders of three masses: 1.4 solar masses (a neutron star), 0.8 solar masses (a main-sequence star or a higher mass white dwarf), and 0.64 solar masses (a more typical mass white dwarf). Our strategy was to perform a large number (40,000) of encounters using a three-body code, then to rerun a small number of cases with a three-dimensional smoothed particle hydrodynamics (SPH) code to determine the importance of hydrodynamical effects. Using the results of the three-body runs, we computed the exchange across sections, sigma(sub ex). From the results of the SPH runs, we computed the cross sections for clean exchange, denoted by sigma(sub cx); the formation of a triple system, denoted by sigma(sub trp); and the formation of a merged binary with an object formed from the merger of two of the stars left in orbit around the third star, denoted by sigma(sub mb). For encounters between either binary and a 1.4 solar masses neutron star, sigma(sub cx) approx. 0.7 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 0.3 sigma(sub ex). For encounters between either binary and the 0.8 solar masses main-sequence star, sigma(sub cx) approx. 0.50 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 1.0 sigma(sub ex). If the main sequence star is replaced by a main-sequence star of the same mass, we have sigma(sub cx) approx. 0.5 sigma(sub ex) and sigma(sub mb) + sigma(sub trp) approx. 1.6 sigma(sub ex). Although the exchange cross section is a sensitive function of intruder mass, we see that the cross section to produce merged binaries is roughly independent of intruder mass. The merged binaries produced have semi-major axes much larger than either those of the original binaries or those of binaries produced in clean exchanges. Coupled with their lower kick velocities, received from the encounters, their larger size will enhance their cross section, shortening the waiting time to a subsequent encounter with another single star.

Exact renormalization group equations: an introductory review

NASA Astrophysics Data System (ADS)

Bagnuls, C.; Bervillier, C.

2001-07-01

We critically review the use of the exact renormalization group equations (ERGE) in the framework of the scalar theory. We lay emphasis on the existence of different versions of the ERGE and on an approximation method to solve it: the derivative expansion. The leading order of this expansion appears as an excellent textbook example to underline the nonperturbative features of the Wilson renormalization group theory. We limit ourselves to the consideration of the scalar field (this is why it is an introductory review) but the reader will find (at the end of the review) a set of references to existing studies on more complex systems.

Coexistence of Velocity Renormalization and Ferrimagnetic Fluctuation in the Organic Dirac Electron System α-(BEDT-TTF)2I3

NASA Astrophysics Data System (ADS)

Matsuno, Genki; Kobayashi, Akito

2018-05-01

We evaluate the uniform spin susceptibility in an extended Hubbard model describing α-(BEDT-TTF)2I3. Employing the Fock-type self-energy with the long-range Coulomb interaction and the random phase approximation with the on-site Coulomb interaction, it is clarified that the characteristic energy scales at which ferrimagnetic fluctuation and velocity renormalization emerge are different. This is why these phenomena coexist while the ferrimagnetic fluctuation is disturbed by the velocity renormalization. In addition, it is found that screening effect to the self-energy is irrelevant in the presence of a strong on-site Coulomb interaction U.

On the Boltzmann Equation with Stochastic Kinetic Transport: Global Existence of Renormalized Martingale Solutions

NASA Astrophysics Data System (ADS)

Punshon-Smith, Samuel; Smith, Scott

2018-02-01

This article studies the Cauchy problem for the Boltzmann equation with stochastic kinetic transport. Under a cut-off assumption on the collision kernel and a coloring hypothesis for the noise coefficients, we prove the global existence of renormalized (in the sense of DiPerna/Lions) martingale solutions to the Boltzmann equation for large initial data with finite mass, energy, and entropy. Our analysis includes a detailed study of weak martingale solutions to a class of linear stochastic kinetic equations. This study includes a criterion for renormalization, the weak closedness of the solution set, and tightness of velocity averages in {{L}1}.

Dimension-5 C P -odd operators: QCD mixing and renormalization

DOE PAGES

Bhattacharya, Tanmoy; Cirigliano, Vincenzo; Gupta, Rajan; ...

2015-12-23

Here, we study the off-shell mixing and renormalization of flavor-diagonal dimension-five T- and P-odd operators involving quarks, gluons, and photons, including quark electric dipole and chromoelectric dipole operators. Furthermore, we present the renormalization matrix to one loop in themore » $$\\bar{MS}$$ scheme. We also provide a definition of the quark chromoelectric dipole operator in a regularization-independent momentum-subtraction scheme suitable for nonperturbative lattice calculations and present the matching coefficients with the $$\\bar{MS}$$ scheme to one loop in perturbation theory, using both the naïve dimensional regularization and ’t Hooft–Veltman prescriptions for γ 5.« less

Effective Field Theory on Manifolds with Boundary

NASA Astrophysics Data System (ADS)

Albert, Benjamin I.

In the monograph Renormalization and Effective Field Theory, Costello made two major advances in rigorous quantum field theory. Firstly, he gave an inductive position space renormalization procedure for constructing an effective field theory that is based on heat kernel regularization of the propagator. Secondly, he gave a rigorous formulation of quantum gauge theory within effective field theory that makes use of the BV formalism. In this work, we extend Costello's renormalization procedure to a class of manifolds with boundary and make preliminary steps towards extending his formulation of gauge theory to manifolds with boundary. In addition, we reorganize the presentation of the preexisting material, filling in details and strengthening the results.

Physical renormalization condition for de Sitter QED

NASA Astrophysics Data System (ADS)

Hayashinaka, Takahiro; Xue, She-Sheng

2018-05-01

We considered a new renormalization condition for the vacuum expectation values of the scalar and spinor currents induced by a homogeneous and constant electric field background in de Sitter spacetime. Following a semiclassical argument, the condition named maximal subtraction imposes the exponential suppression on the massive charged particle limit of the renormalized currents. The maximal subtraction changes the behaviors of the induced currents previously obtained by the conventional minimal subtraction scheme. The maximal subtraction is favored for a couple of physically decent predictions including the identical asymptotic behavior of the scalar and spinor currents, the removal of the IR hyperconductivity from the scalar current, and the finite current for the massless fermion.

Analysis of sigma receptor (sigmaR1) expression in retinal ganglion cells cultured under hyperglycemic conditions and in diabetic mice.

PubMed

Ola, M Shamsul; Moore, Pamela; Maddox, Dennis; El-Sherbeny, Amira; Huang, Wei; Roon, Penny; Agarwal, Neeraj; Ganapathy, Vadivel; Smith, Sylvia B

2002-11-15

The type 1 sigma receptor (sigmaR1) is a nonopiate and nonphencyclidine binding site that has numerous pharmacological and physiological functions. In some studies, agonists for sigmaR1 have been shown to afford neuroprotection against overstimulation of the NMDA receptor. sigmaR1 expression has been demonstrated recently in retinal ganglion cells (RGC). RGCs undergo apoptosis early in diabetic retinopathy via NMDA receptor overstimulation. In the present study we asked whether RGCs cultured under hyperglycemic conditions and RGCs of diabetic mice continue to express sigmaR1. RGCs were cultured 48 h in RPMI medium containing either 45 mM glucose or 11 mM glucose plus 34 mM mannitol (osmolar control). C57BL/6 mice were made diabetic using streptozotocin. The retina was dissected from normal and streptozotocin-induced diabetic mice 3, 6 and 12 weeks post-onset of diabetes. sigmaR1 was analyzed in cells using semiquantitative RT-PCR and in tissues by semiquantitative RT-PCR, in situ hybridization, Western blot analysis and immunolocalization. The RT-PCR analysis of cultured RGCs showed that sigmaR1 mRNA is expressed under hyperglycemic conditions at levels similar to control cells. Similarly, analysis of retinas of diabetic mice showed no difference in levels of mRNA encoding sigmaR1 compared to retinas of control mice. In situ hybridization analysis showed that expression patterns of sigmaR1 mRNA in the ganglion cell layer were similar between diabetic and control mice. Western blot analysis suggested that levels of sigmaR1 in retina were similar between diabetic and control retinas. Immunohistochemical analysis of sigmaR1 showed a similar pattern of sigmaR1 protein expression between control and diabetic retina. These studies demonstrate that sigmaR1 is expressed under hyperglycemic conditions in vitro and in vivo.

Mapping of the Rsd contact site on the sigma 70 subunit of Escherichia coli RNA polymerase.

PubMed

Jishage, M; Dasgupta, D; Ishihama, A

2001-05-01

Rsd (regulator of sigma D) is an anti-sigma factor for the Escherichia coli RNA polymerase sigma(70) subunit. The contact site of Rsd on sigma(70) was analyzed after mapping of the contact-dependent cleavage sites by Rsd-tethered iron-p-bromoacetamidobenzyl EDTA and by analysis of the complex formation between Ala-substituted sigma(70) and Rsd. Results indicate that the Rsd contact site is located downstream of the promoter -35 recognition helix-turn-helix motif within region 4, overlapping with the regions involved in interaction with both core enzyme and sigma(70) contact transcription factors.

LINE ABSORPTION OSCILLATOR STRENGTHS FOR THE c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0-5) BANDS IN N{sub 2}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lavin, C.; Velasco, A. M., E-mail: clavin@qf.uva.es

Theoretical absorption oscillator strengths and emission branching ratios for rotational lines of the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0-5) bands of molecular nitrogen are reported. The calculations have been performed with the molecular quantum defect orbital method, which has proved to be reliable in previous studies of rovibronic transitions in diatomic molecules. The strong interaction between c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3) and b' {sup 1}{Sigma}{sup +}{sub u}(10) states has been analyzed through an interaction matrix that includes rotational terms. Owing to the perturbation, the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(0), c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{supmore » +}{sub g}(1), and c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3)-X{sup 1}{Sigma}{sup +}{sub g}(5) bands are not weak, in contrast to what would be expected on the basis of the Franck-Condon principle. Moreover, the intensity distribution of the rotational lines within each of the vibronic bands deviates from considerations based on Hoenl-London factors. In this work, we provide data that may be useful to interpret spectra from atmospheres of the Earth, Titan, and Triton, in which transitions from the c'{sub 4}{sup 1}{Sigma}{sup +}{sub u}(3) level have been detected.« less

The low-lying {pi}{sigma}* state and its role in the intramolecular charge transfer of aminobenzonitriles and aminobenzethyne

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jae-Kwang; Fujiwara, Takashige; Kofron, William G.

2008-04-28

Electronic absorption spectra of the low-lying {pi}{pi}* and {pi}{sigma}* states of several aminobenzonitriles and 4-dimethylaminobenzethyne have been studied by time-resolved transient absorption and time-dependent density functional theory calculation. In acetonitrile, the lifetime of the {pi}{sigma}*-state absorption is very short (picoseconds or subpicosecond) for molecules that exhibit intramolecular charge transfer (ICT), and very long (nanoseconds) for those that do not. Where direct comparison of the temporal characteristics of the {pi}{sigma}*-state and the ICT-state transients could be made, the formation rate of the ICT state is identical to the decay rate of the {pi}{sigma}* state within the experimental uncertainty. These results aremore » consistent with the {pi}{sigma}*-mediated ICT mechanism, L{sub a} ({pi}{pi}*){yields}{pi}{sigma}*{yields}ICT, in which the decay rate of the {pi}{sigma}* state is determined by the rate of the solvent-controlled {pi}{sigma}*{yields}ICT charge-shift reaction. The {pi}{pi}*{yields}{pi}{sigma}* state crossing does not occur in 3-dimethylaminobenzonitrile or 2-dimethylaminobenzonitrile, as predicted by the calculation, and 4-aminobenzonitrile and 4-dimethylaminobenzethyne does not exhibit the ICT reaction, consistent with the higher energy of the ICT state relative to the {pi}{sigma}* state.« less

Quantitative application of sigma metrics in medical biochemistry.

PubMed

Nanda, Sunil Kumar; Ray, Lopamudra

2013-12-01

Laboratory errors are result of a poorly designed quality system in the laboratory. Six Sigma is an error reduction methodology that has been successfully applied at Motorola and General Electric. Sigma (σ) is the mathematical symbol for standard deviation (SD). Sigma methodology can be applied wherever an outcome of a process has to be measured. A poor outcome is counted as an error or defect. This is quantified as defects per million (DPM). A six sigma process is one in which 99.999666% of the products manufactured are statistically expected to be free of defects. Six sigma concentrates, on regulating a process to 6 SDs, represents 3.4 DPM (defects per million) opportunities. It can be inferred that as sigma increases, the consistency and steadiness of the test improves, thereby reducing the operating costs. We aimed to gauge performance of our laboratory parameters by sigma metrics. Evaluation of sigma metrics in interpretation of parameter performance in clinical biochemistry. The six month internal QC (October 2012 to march 2013) and EQAS (external quality assurance scheme) were extracted for the parameters-Glucose, Urea, Creatinine, Total Bilirubin, Total Protein, Albumin, Uric acid, Total Cholesterol, Triglycerides, Chloride, SGOT, SGPT and ALP. Coefficient of variance (CV) were calculated from internal QC for these parameters. Percentage bias for these parameters was calculated from the EQAS. Total allowable errors were followed as per Clinical Laboratory Improvement Amendments (CLIA) guidelines. Sigma metrics were calculated from CV, percentage bias and total allowable error for the above mentioned parameters. For parameters - Total bilirubin, uric acid, SGOT, SGPT and ALP, the sigma values were found to be more than 6. For parameters - glucose, Creatinine, triglycerides, urea, the sigma values were found to be between 3 to 6. For parameters - total protein, albumin, cholesterol and chloride, the sigma values were found to be less than 3. ALP was the best performer when it was gauzed on the sigma scale, with a sigma metrics value of 8.4 and chloride had the least sigma metrics value of 1.4.

Probability of fixation under weak selection: a branching process unifying approach.

PubMed

Lambert, Amaury

2006-06-01

We link two-allele population models by Haldane and Fisher with Kimura's diffusion approximations of the Wright-Fisher model, by considering continuous-state branching (CB) processes which are either independent (model I) or conditioned to have constant sum (model II). Recent works by the author allow us to further include logistic density-dependence (model III), which is ubiquitous in ecology. In all models, each allele (mutant or resident) is then characterized by a triple demographic trait: intrinsic growth rate r, reproduction variance sigma and competition sensitivity c. Generally, the fixation probability u of the mutant depends on its initial proportion p, the total initial population size z, and the six demographic traits. Under weak selection, we can linearize u in all models thanks to the same master formula u = p + p(1 - p)[g(r)s(r) + g(sigma)s(sigma) + g(c)s(c)] + o(s(r),s(sigma),s(c), where s(r) = r' - r, s(sigma) = sigma-sigma' and s(c) = c - c' are selection coefficients, and g(r), g(sigma), g(c) are invasibility coefficients (' refers to the mutant traits), which are positive and do not depend on p. In particular, increased reproduction variance is always deleterious. We prove that in all three models g(sigma) = 1/sigma and g(r) = z/sigma for small initial population sizes z. In model II, g(r) = z/sigma for all z, and we display invasion isoclines of the 'mean vs variance' type. A slight departure from the isocline is shown to be more beneficial to alleles with low sigma than with high r. In model III, g(c) increases with z like ln(z)/c, and g(r)(z) converges to a finite limit L > K/sigma, where K = r/c is the carrying capacity. For r > 0 the growth invasibility is above z/sigma when z < K, and below z/sigma when z > K, showing that classical models I and II underestimate the fixation probabilities in growing populations, and overestimate them in declining populations.

HOW UNIVERSAL IS THE {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} RELATION?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Feldmann, R.; Gnedin, N. Y.; Kravtsov, A. V., E-mail: feldmann@fnal.gov

It is a well-established empirical fact that the surface density of the star formation rate, {Sigma}{sub SFR}, strongly correlates with the surface density of molecular hydrogen, {Sigma}{sub H{sub 2}}, at least when averaged over large ({approx}kpc) scales. Much less is known, however, about whether (and how) the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation depends on environmental parameters, such as the metallicity or the UV radiation field in the interstellar medium (ISM). Furthermore, observations indicate that the scatter in the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation increases rapidly with decreasing averaging scale. How the scale-dependent scatter is generated and how one recovers amore » tight {approx} kpc scale {Sigma}{sub SFR}-{Sigma}{sub 2} relation in the first place is still largely debated. Here, these questions are explored with hydrodynamical simulations that follow the formation and destruction of H{sub 2}, include radiative transfer of UV radiation, and resolve the ISM on {approx}60 pc scales. We find that within the considered range of H{sub 2} surface densities (10-100 M{sub sun} pc{sup -2}), the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation is steeper in environments of low-metallicity and/or high-radiation fields (compared to the Galaxy), that the star formation rate (SFR) at a given H{sub 2} surface density is larger, and the scatter is increased. Deviations from a 'universal' {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation should be particularly relevant for high-redshift galaxies or for low-metallicity dwarfs at z {approx} 0. We also find that the use of time-averaged SFRs produces a large, scale-dependent scatter in the {Sigma}{sub SFR}-{Sigma}{sub H{sub 2}} relation. Given the plethora of observational data expected from upcoming surveys such as ALMA, the scale-scatter relation may indeed become a valuable tool for determining the physical mechanisms connecting star formation and H{sub 2} formation.« less

Fluctuation-enhanced electric conductivity in electrolyte solutions.

PubMed

Péraud, Jean-Philippe; Nonaka, Andrew J; Bell, John B; Donev, Aleksandar; Garcia, Alejandro L

2017-10-10

We analyze the effects of an externally applied electric field on thermal fluctuations for a binary electrolyte fluid. We show that the fluctuating Poisson-Nernst-Planck (PNP) equations for charged multispecies diffusion coupled with the fluctuating fluid momentum equation result in enhanced charge transport via a mechanism distinct from the well-known enhancement of mass transport that accompanies giant fluctuations. Although the mass and charge transport occurs by advection by thermal velocity fluctuations, it can macroscopically be represented as electrodiffusion with renormalized electric conductivity and a nonzero cation-anion diffusion coefficient. Specifically, we predict a nonzero cation-anion Maxwell-Stefan coefficient proportional to the square root of the salt concentration, a prediction that agrees quantitatively with experimental measurements. The renormalized or effective macroscopic equations are different from the starting PNP equations, which contain no cross-diffusion terms, even for rather dilute binary electrolytes. At the same time, for infinitely dilute solutions the renormalized electric conductivity and renormalized diffusion coefficients are consistent and the classical PNP equations with renormalized coefficients are recovered, demonstrating the self-consistency of the fluctuating hydrodynamics equations. Our calculations show that the fluctuating hydrodynamics approach recovers the electrophoretic and relaxation corrections obtained by Debye-Huckel-Onsager theory, while elucidating the physical origins of these corrections and generalizing straightforwardly to more complex multispecies electrolytes. Finally, we show that strong applied electric fields result in anisotropically enhanced "giant" velocity fluctuations and reduced fluctuations of salt concentration.

Fluctuation-enhanced electric conductivity in electrolyte solutions

PubMed Central

Péraud, Jean-Philippe; Nonaka, Andrew J.; Bell, John B.; Donev, Aleksandar; Garcia, Alejandro L.

2017-01-01

We analyze the effects of an externally applied electric field on thermal fluctuations for a binary electrolyte fluid. We show that the fluctuating Poisson–Nernst–Planck (PNP) equations for charged multispecies diffusion coupled with the fluctuating fluid momentum equation result in enhanced charge transport via a mechanism distinct from the well-known enhancement of mass transport that accompanies giant fluctuations. Although the mass and charge transport occurs by advection by thermal velocity fluctuations, it can macroscopically be represented as electrodiffusion with renormalized electric conductivity and a nonzero cation–anion diffusion coefficient. Specifically, we predict a nonzero cation–anion Maxwell–Stefan coefficient proportional to the square root of the salt concentration, a prediction that agrees quantitatively with experimental measurements. The renormalized or effective macroscopic equations are different from the starting PNP equations, which contain no cross-diffusion terms, even for rather dilute binary electrolytes. At the same time, for infinitely dilute solutions the renormalized electric conductivity and renormalized diffusion coefficients are consistent and the classical PNP equations with renormalized coefficients are recovered, demonstrating the self-consistency of the fluctuating hydrodynamics equations. Our calculations show that the fluctuating hydrodynamics approach recovers the electrophoretic and relaxation corrections obtained by Debye–Huckel–Onsager theory, while elucidating the physical origins of these corrections and generalizing straightforwardly to more complex multispecies electrolytes. Finally, we show that strong applied electric fields result in anisotropically enhanced “giant” velocity fluctuations and reduced fluctuations of salt concentration. PMID:28973890

Running with rugby balls: bulk renormalization of codimension-2 branes

NASA Astrophysics Data System (ADS)

Williams, M.; Burgess, C. P.; van Nierop, L.; Salvio, A.

2013-01-01

We compute how one-loop bulk effects renormalize both bulk and brane effective interactions for geometries sourced by codimension-two branes. We do so by explicitly integrating out spin-zero, -half and -one particles in 6-dimensional Einstein-Maxwell-Scalar theories compactified to 4 dimensions on a flux-stabilized 2D geometry. (Our methods apply equally well for D dimensions compactified to D - 2 dimensions, although our explicit formulae do not capture all divergences when D > 6.) The renormalization of bulk interactions are independent of the boundary conditions assumed at the brane locations, and reproduce standard heat-kernel calculations. Boundary conditions at any particular brane do affect how bulk loops renormalize this brane's effective action, but not the renormalization of other distant branes. Although we explicitly compute our loops using a rugby ball geometry, because we follow only UV effects our results apply more generally to any geometry containing codimension-two sources with conical singularities. Our results have a variety of uses, including calculating the UV sensitivity of one-loop vacuum energy seen by observers localized on the brane. We show how these one-loop effects combine in a surprising way with bulk back-reaction to give the complete low-energy effective cosmological constant, and comment on the relevance of this calculation to proposed applications of codimension-two 6D models to solutions of the hierarchy and cosmological constant problems.

Reconstruction and topological characterization of the sigma factor regulatory network of Mycobacterium tuberculosis

PubMed Central

Chauhan, Rinki; Ravi, Janani; Datta, Pratik; Chen, Tianlong; Schnappinger, Dirk; Bassler, Kevin E.; Balázsi, Gábor; Gennaro, Maria Laura

2016-01-01

Accessory sigma factors, which reprogram RNA polymerase to transcribe specific gene sets, activate bacterial adaptive responses to noxious environments. Here we reconstruct the complete sigma factor regulatory network of the human pathogen Mycobacterium tuberculosis by an integrated approach. The approach combines identification of direct regulatory interactions between M. tuberculosis sigma factors in an E. coli model system, validation of selected links in M. tuberculosis, and extensive literature review. The resulting network comprises 41 direct interactions among all 13 sigma factors. Analysis of network topology reveals (i) a three-tiered hierarchy initiating at master regulators, (ii) high connectivity and (iii) distinct communities containing multiple sigma factors. These topological features are likely associated with multi-layer signal processing and specialized stress responses involving multiple sigma factors. Moreover, the identification of overrepresented network motifs, such as autoregulation and coregulation of sigma and anti-sigma factor pairs, provides structural information that is relevant for studies of network dynamics. PMID:27029515

Mass spectrometry of Escherichia coli RNA polymerase: interactions of the core enzyme with sigma70 and Rsd protein.

PubMed

Ilag, Leopold L; Westblade, Lars F; Deshayes, Caroline; Kolb, Annie; Busby, Stephen J W; Robinson, Carol V

2004-02-01

The E. coli RNA polymerase core enzyme is a multisubunit complex of 388,981 Da. To initiate transcription at promoters, the core enzyme associates with a sigma subunit to form holo RNA polymerase. Here we have used nanoflow electrospray mass spectrometry, coupled with tandem mass spectrometry, to probe the interaction of the RNA polymerase core enzyme with the most abundant sigma factor, sigma70. The results show remarkably well-resolved spectra for both the core and holo RNA polymerases. The regulator of sigma70, Rsd protein, has previously been identified as a protein that binds to free sigma70. We show that Rsd also interacts with core enzyme. In addition, by adding increasing amounts of Rsd, we show that sigma70 is displaced from holo RNA polymerase, resulting in complexes of Rsd with core and sigma70. The results argue for a model in which Rsd not only sequesters sigma70, but is also an effector of core RNA polymerase.

The oscillator model for the Lie superalgebra sh(2|2) and Charlier polynomials

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jafarov, E. I.; Van der Jeugt, J.

2013-10-15

We investigate an algebraic model for the quantum oscillator based upon the Lie superalgebra sh(2|2), known as the Heisenberg–Weyl superalgebra or “the algebra of supersymmetric quantum mechanics,” and its Fock representation. The model offers some freedom in the choice of a position and a momentum operator, leading to a free model parameter γ. Using the technique of Jacobi matrices, we determine the spectrum of the position operator, and show that its wavefunctions are related to Charlier polynomials C{sub n} with parameter γ{sup 2}. Some properties of these wavefunctions are discussed, as well as some other properties of the current oscillatormore » model.« less

Vector-valued Jack polynomials and wavefunctions on the torus

NASA Astrophysics Data System (ADS)

Dunkl, Charles F.

2017-06-01

The Hamiltonian of the quantum Calogero-Sutherland model of N identical particles on the circle with 1/r 2 interactions has eigenfunctions consisting of Jack polynomials times the base state. By use of the generalized Jack polynomials taking values in modules of the symmetric group and the matrix solution of a system of linear differential equations one constructs novel eigenfunctions of the Hamiltonian. Like the usual wavefunctions each eigenfunction determines a symmetric probability density on the N-torus. The construction applies to any irreducible representation of the symmetric group. The methods depend on the theory of generalized Jack polynomials due to Griffeth, and the Yang-Baxter graph approach of Luque and the author.

First-Principles Momentum-Dependent Local Ansatz Wavefunction and Momentum Distribution Function Bands of Iron

NASA Astrophysics Data System (ADS)

Kakehashi, Yoshiro; Chandra, Sumal

2016-04-01

We have developed a first-principles local ansatz wavefunction approach with momentum-dependent variational parameters on the basis of the tight-binding LDA+U Hamiltonian. The theory goes beyond the first-principles Gutzwiller approach and quantitatively describes correlated electron systems. Using the theory, we find that the momentum distribution function (MDF) bands of paramagnetic bcc Fe along high-symmetry lines show a large deviation from the Fermi-Dirac function for the d electrons with eg symmetry and yield the momentum-dependent mass enhancement factors. The calculated average mass enhancement m*/m = 1.65 is consistent with low-temperature specific heat data as well as recent angle-resolved photoemission spectroscopy (ARPES) data.

The Shannon entropy information for mixed Manning Rosen potential in D-dimensional Schrodinger equation

NASA Astrophysics Data System (ADS)

Suparmi, A.; Cari, C.; Nur Pratiwi, Beta; Arya Nugraha, Dewanta

2017-01-01

D dimensional Schrodinger equation for the mixed Manning Rosen potential was investigated using supersymmetric quantum mechanics. We obtained the energy eigenvalues from radial part solution and wavefunctions in radial and angular parts solution. From the lowest radial wavefunctions, we evaluated the Shannon entropy information using Matlab software. Based on the entropy densities demonstrated graphically, we obtained that the wave of position information entropy density moves right when the value of potential parameter q increases, while its wave moves left with the increase of parameter α. The wave of momentum information entropy densities were expressed in graphs. We observe that its amplitude increase with increasing parameter q and α

Small-Molecule Sigma1 Modulator Induces Autophagic Degradation of PD-L1.

PubMed

Maher, Christina M; Thomas, Jeffrey D; Haas, Derick A; Longen, Charles G; Oyer, Halley M; Tong, Jane Y; Kim, Felix J

2018-02-01

Emerging evidence suggests that Sigma1 ( SIGMAR1 , also known as sigma-1 receptor) is a unique ligand-regulated integral membrane scaffolding protein that contributes to cellular protein and lipid homeostasis. Previously, we demonstrated that some small-molecule modulators of Sigma1 alter endoplasmic reticulum (ER)-associated protein homeostasis pathways in cancer cells, including the unfolded protein response and autophagy. Programmed death-ligand 1 (PD-L1) is a type I integral membrane glycoprotein that is cotranslationally inserted into the ER and is processed and transported through the secretory pathway. Once at the surface of cancer cells, PD-L1 acts as a T-cell inhibitory checkpoint molecule and suppresses antitumor immunity. Here, we demonstrate that in Sigma1-expressing triple-negative breast and androgen-independent prostate cancer cells, PD-L1 protein levels were suppressed by RNAi knockdown of Sigma1 and by small-molecule inhibition of Sigma1. Sigma1-mediated action was confirmed by pharmacologic competition between Sigma1-selective inhibitor and activator ligands. When administered alone, the Sigma1 inhibitor decreased cell surface PD-L1 expression and suppressed functional interaction of PD-1 and PD-L1 in a coculture of T cells and cancer cells. Conversely, the Sigma1 activator increased PD-L1 cell surface expression, demonstrating the ability to positively and negatively modulate Sigma1 associated PD-L1 processing. We discovered that the Sigma1 inhibitor induced degradation of PD-L1 via autophagy, by a mechanism distinct from bulk macroautophagy or general ER stress-associated autophagy. Finally, the Sigma1 inhibitor suppressed IFNγ-induced PD-L1. Our data demonstrate that small-molecule Sigma1 modulators can be used to regulate PD-L1 in cancer cells and trigger its degradation by selective autophagy. Implications: Sigma1 modulators sequester and eliminate PD-L1 by autophagy, thus preventing functional PD-L1 expression at the cell surface. This posits Sigma1 modulators as novel therapeutic agents in PD-L1/PD-1 blockade strategies that regulate the tumor immune microenvironment. Visual Overview: http://mcr.aacrjournals.org/content/molcanres/16/2/243/F1.large.jpg Mol Cancer Res; 16(2); 243-55. ©2017 AACR . ©2017 American Association for Cancer Research.

VizieR Online Data Catalog: H2 d3{Pi}u excitation by elec

NASA Astrophysics Data System (ADS)

Liu, X.; Shemansky, D. E.; Yoshii, J.; Johnson, P. V.; Malone, C. P.; Ajello, J. M.

2016-05-01

Electron-impact excitation of H2 triplet states plays an imp role in the heating of outer planet upper thermospheres. The d3{Pi}u state is the third ungerade triplet state, and the d3{Pi}u-a3{Sigma}g+ emission is the largest cascade channel for the a3{Sigma}g+ state. Accurate energies of the d3{Pi}u-(v, J) levels are calculated from an ab initio potential energy curve. Radiative lifetimes of the d3{Pi}u(v,J) levels are obtained by an accurate evaluation of the d3{Pi}u-a3{Sigma}g+ transition probabilities. The emission yields are determined from experimental lifetimes and calculated radiative lifetimes and are further verified by comparing experimental and synthetic d3{Pi}u-a3{Sigma}g+ spectra at 20eV impact energy. Spectral analysis revealed that multipolar components beyond the dipolar term are required to model the X1{Sigma}g+-d3{Pi}u excitation, and significant cascade excitation occurs at the d3{Pi}u (v=0,1) levels. Kinetic energy (Ek) distributions of H atoms produced via predissociation of the 3{Pi}u state and the d3{Pi}u-a3{Sigma}g+-b3{Sigma}u+ cascade dissociative emission are obtained. Predissociation of the d3{Pi}u state produces H atoms with an average Ek of 2.3+/-0.4 eV/atom, while the Ekdistribution of the d3{Pi}u-a3{Sigma}g+-b3{Sigma}u+ channel is similar to that of the X1{Sigma}g+-a3{Sigma}g+-b3{Sigma}u+ channel and produces H(1s) atoms with an average Ek of 1.15+/-0.05eV/atom. On average, each H2 excited to the d3{Pi}u state in an H2-dominated atmosphere deposits 3.3+/-0.4eV into the atmosphere, while each H2directly excited to the a3{Sigma}g+ state gives 2.2-2.3eV to the atmosphere. The spectral distribution of the calculated a3{Sigma}g+-b3{Sigma}u+ continuum emission due to the X1{Sigma}g+-d3{Pi}u excitation is significantly different from that of direct a3{Sigma}g+ excitation. (2 data files).

An evaluation of the rate of absorption of solar radiation in the O2(X3Sigma-g - b1Sigma-g) transition

NASA Technical Reports Server (NTRS)

Mlynczak, Martin G.

1993-01-01

The rate at which molecular oxygen absorbs radiation in the O2(X3Sigma-g - b1Sigma-g) transition is calculated using a line-by-line radiative transfer model. This rate is critical to the determination of the population of the O2(b1Sigma-g) state required for studies of the O2(b1Sigma-g - X3Sigma-g) dayglow, the O2(a1Delta-g - X3Sigma-g) dayglow, and possibly the rates of oxidation of H2 and N2O. Previous evaluations of this rate (which is sometimes called the g-factor) have significantly overestimated its value. The rate is tabulated as a function of altitude, pressure, and solar zenith angle.

The Hallucinogen N,N-Dimethyltryptamine (DMT) Is an Endogenous Sigma-1 Receptor Regulator

PubMed Central

Fontanilla, Dominique; Johannessen, Molly; Hajipour, Abdol R.; Cozzi, Nicholas V.; Jackson, Meyer B.; Ruoho, Arnold E.

2010-01-01

The sigma-1 receptor is widely distributed in the central nervous system and periphery. Originally mischaracterized as an opioid receptor, the sigma-1 receptor binds a vast number of synthetic compounds but does not bind opioid peptides; it is currently considered an orphan receptor. The sigma-1 receptor pharmacophore includes an alkylamine core, also found in the endogenous compound N,N-dimethyltryptamine (DMT). DMT acts as a hallucinogen, but its receptor target has been unclear. DMT bound to sigma-1 receptors and inhibited voltage-gated sodium ion (Na+) channels in both native cardiac myocytes and heterologous cells that express sigma-1 receptors. DMT induced hypermobility in wild-type mice but not in sigma-1 receptor knockout mice. These biochemical, physiological, and behavioral experiments indicate that DMT is an endogenous agonist for the sigma-1 receptor. PMID:19213917

The hallucinogen N,N-dimethyltryptamine (DMT) is an endogenous sigma-1 receptor regulator.

PubMed

Fontanilla, Dominique; Johannessen, Molly; Hajipour, Abdol R; Cozzi, Nicholas V; Jackson, Meyer B; Ruoho, Arnold E

2009-02-13

The sigma-1 receptor is widely distributed in the central nervous system and periphery. Originally mischaracterized as an opioid receptor, the sigma-1 receptor binds a vast number of synthetic compounds but does not bind opioid peptides; it is currently considered an orphan receptor. The sigma-1 receptor pharmacophore includes an alkylamine core, also found in the endogenous compound N,N-dimethyltryptamine (DMT). DMT acts as a hallucinogen, but its receptor target has been unclear. DMT bound to sigma-1 receptors and inhibited voltage-gated sodium ion (Na+) channels in both native cardiac myocytes and heterologous cells that express sigma-1 receptors. DMT induced hypermobility in wild-type mice but not in sigma-1 receptor knockout mice. These biochemical, physiological, and behavioral experiments indicate that DMT is an endogenous agonist for the sigma-1 receptor.

A structural model of anti-anti-[sigma] inhibition by a two-component receiver domain: the PhyR stress response regulator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrou, Julien; Foreman, Robert; Fiebig, Aretha

2012-05-09

PhyR is a hybrid stress regulator conserved in {alpha}-proteobacteria that contains an N-terminal {sigma}-like (SL) domain and a C-terminal receiver domain. Phosphorylation of the receiver domain is known to promote binding of the SL domain to an anti-{sigma} factor. PhyR thus functions as an anti-anti-{sigma} factor in its phosphorylated state. We present genetic evidence that Caulobacter crescentus PhyR is a phosphorylation-dependent stress regulator that functions in the same pathway as {sigma}{sup T} and its anti-{sigma} factor, NepR. Additionally, we report the X-ray crystal structure of PhyR at 1.25 {angstrom} resolution, which provides insight into the mechanism of anti-anti-{sigma} regulation. Directmore » intramolecular contact between the PhyR receiver and SL domains spans regions {sigma}{sub 2} and {sigma}{sub 4}, likely serving to stabilize the SL domain in a closed conformation. The molecular surface of the receiver domain contacting the SL domain is the structural equivalent of {alpha}4-{beta}5-{alpha}5, which is known to undergo dynamic conformational change upon phosphorylation in a diverse range of receiver proteins. We propose a structural model of PhyR regulation in which receiver phosphorylation destabilizes the intramolecular interaction between SL and receiver domains, thereby permitting regions {sigma}{sub 2} and {sigma}{sub 4} in the SL domain to open about a flexible connector loop and bind anti-{sigma} factor.« less

A structural model of anti-anti-[sigma];#963; inhibition by a two-component receiver domain: the PhyR stress response regulator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrou, Julien; Foreman, Robert; Fiebig, Aretha

2012-03-30

PhyR is a hybrid stress regulator conserved in {alpha}-proteobacteria that contains an N-terminal {sigma}-like (SL) domain and a C-terminal receiver domain. Phosphorylation of the receiver domain is known to promote binding of the SL domain to an anti-{sigma} factor. PhyR thus functions as an anti-anti-{sigma} factor in its phosphorylated state. We present genetic evidence that Caulobacter crescentus PhyR is a phosphorylation-dependent stress regulator that functions in the same pathway as {sigma}{sup T} and its anti-{sigma} factor, NepR. Additionally, we report the X-ray crystal structure of PhyR at 1.25 {angstrom} resolution, which provides insight into the mechanism of anti-anti-{sigma} regulation. Directmore » intramolecular contact between the PhyR receiver and SL domains spans regions {sigma}{sub 2} and {sigma}{sub 4}, likely serving to stabilize the SL domain in a closed conformation. The molecular surface of the receiver domain contacting the SL domain is the structural equivalent of {alpha}4-{beta}5-{alpha}5, which is known to undergo dynamic conformational change upon phosphorylation in a diverse range of receiver proteins. We propose a structural model of PhyR regulation in which receiver phosphorylation destabilizes the intramolecular interaction between SL and receiver domains, thereby permitting regions {sigma}{sub 2} and {sigma}{sub 4} in the SL domain to open about a flexible connector loop and bind anti-{sigma} factor.« less

Density matrix renormalization group with efficient dynamical electron correlation through range separation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch; Knecht, Stefan; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch

2015-06-14

We present a new hybrid multiconfigurational method based on the concept of range-separation that combines the density matrix renormalization group approach with density functional theory. This new method is designed for the simultaneous description of dynamical and static electron-correlation effects in multiconfigurational electronic structure problems.

The nature of the bonding in XCO for X = Fe, Ni, and Cu

NASA Technical Reports Server (NTRS)

Bauschlicher, C. W., Jr.; Bagus, P. S.; Nelin, C. J.; Roos, B. O.

1986-01-01

The bonding in the (5,3)Sigma - and 3Delta states of FeCO, the (3,1)Sigma + , 3Delta, and 3Pi states of NiCO, and the 2Sigma + state of CuCO are analyzed using the constrained-space orbital-variation (CSOV) technique for both (CASSCF) and SCF wave functions. The bonding is discussed in terms of sigma repulsion between the metals 4s and the CO 5-sigma and CO-to-metal sigma donation when there is an empty or partly occupied d-sigma orbital and metal-to-CO 2pi(asterisk) backdonation. The bonding is compared for the different metals and between the different states.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Patikoglou,G.; Westblade, L.; Campbell, E.

The Escherichia coli Rsd protein binds tightly and specifically to the RNA polymerase (RNAP) {sigma}{sup 70} factor. Rsd plays a role in alternative {sigma} factor-dependent transcription by biasing the competition between {sigma}{sup 70} and alternative {sigma} factors for the available core RNAP. Here, we determined the 2.6 {angstrom}-resolution X-ray crystal structure of Rsd bound to {sigma}{sup 70} domain 4 ({sigma}{sup 70}{sub 4}), the primary determinant for Rsd binding within {sigma}{sup 70}. The structure reveals that Rsd binding interferes with the two primary functions of {sigma}{sup 70}{sub 4}, core RNAP binding and promoter -35 element binding. Interestingly, the most highly conservedmore » Rsd residues form a network of interactions through the middle of the Rsd structure that connect the {sigma}{sup 70}{sub 4}-binding surface with three cavities exposed on distant surfaces of Rsd, suggesting functional coupling between {sigma}{sup 70}{sub 4} binding and other binding surfaces of Rsd, either for other proteins or for as yet unknown small molecule effectors. These results provide a structural basis for understanding the role of Rsd, as well as its ortholog, AlgQ, a positive regulator of Pseudomonas aeruginosa virulence, in transcription regulation.« less

Integrating Six Sigma with total quality management: a case example for measuring medication errors.

PubMed

Revere, Lee; Black, Ken

2003-01-01

Six Sigma is a new management philosophy that seeks a nonexistent error rate. It is ripe for healthcare because many healthcare processes require a near-zero tolerance for mistakes. For most organizations, establishing a Six Sigma program requires significant resources and produces considerable stress. However, in healthcare, management can piggyback Six Sigma onto current total quality management (TQM) efforts so that minimal disruption occurs in the organization. Six Sigma is an extension of the Failure Mode and Effects Analysis that is required by JCAHO; it can easily be integrated into existing quality management efforts. Integrating Six Sigma into the existing TQM program facilitates process improvement through detailed data analysis. A drilled-down approach to root-cause analysis greatly enhances the existing TQM approach. Using the Six Sigma metrics, internal project comparisons facilitate resource allocation while external project comparisons allow for benchmarking. Thus, the application of Six Sigma makes TQM efforts more successful. This article presents a framework for including Six Sigma in an organization's TQM plan while providing a concrete example using medication errors. Using the process defined in this article, healthcare executives can integrate Six Sigma into all of their TQM projects.

Mucosal vaccination by adenoviruses displaying reovirus sigma 1

DOE Office of Scientific and Technical Information (OSTI.GOV)

Weaver, Eric A.; Camacho, Zenaido T.; Hillestad, Matthew L.

We developed adenovirus serotype 5 (Ad5) vectors displaying the sigma 1 protein from reovirus as mucosal vaccines. Ad5-sigma retargets to JAM-1 and sialic acid, but has 40-fold reduced gene delivery when compared to Ad5. While weaker at transduction, Ad5-sigma generates stronger T cell responses than Ad5 when used for mucosal immunization. In this work, new Ad5-fiber-sigma vectors were generated by varying the number of fiber β-spiral shaft repeats (R) between the fiber tail and sigma. Increasing chimera length led to decreasing insertion of these proteinsAd5 virions. Ad-R3 and R14 vectors effectively targeted JAM-1 in vitro while R20 did not. Whenmore » wereused to immunize mice by the intranasal route, Ad5-R3-sigma produced higher serum and vaginal antibody responses than Ad5. These data suggest optimized Ad-sigma vectors may be useful vectors for mucosal vaccination. - Highlights: • Constructed adenoviruses (Ads) displaying different reovirus sigma 1 fusion proteins. • Progressively longer chimeras were more poorly encapsidated onto Ad virions. • Ad5-R3-sigma mediated better systemic and mucosal immune responses than Ad5.« less

Sigma metrics as a tool for evaluating the performance of internal quality control in a clinical chemistry laboratory.

PubMed

Kumar, B Vinodh; Mohan, Thuthi

2018-01-01

Six Sigma is one of the most popular quality management system tools employed for process improvement. The Six Sigma methods are usually applied when the outcome of the process can be measured. This study was done to assess the performance of individual biochemical parameters on a Sigma Scale by calculating the sigma metrics for individual parameters and to follow the Westgard guidelines for appropriate Westgard rules and levels of internal quality control (IQC) that needs to be processed to improve target analyte performance based on the sigma metrics. This is a retrospective study, and data required for the study were extracted between July 2015 and June 2016 from a Secondary Care Government Hospital, Chennai. The data obtained for the study are IQC - coefficient of variation percentage and External Quality Assurance Scheme (EQAS) - Bias% for 16 biochemical parameters. For the level 1 IQC, four analytes (alkaline phosphatase, magnesium, triglyceride, and high-density lipoprotein-cholesterol) showed an ideal performance of ≥6 sigma level, five analytes (urea, total bilirubin, albumin, cholesterol, and potassium) showed an average performance of <3 sigma level and for level 2 IQCs, same four analytes of level 1 showed a performance of ≥6 sigma level, and four analytes (urea, albumin, cholesterol, and potassium) showed an average performance of <3 sigma level. For all analytes <6 sigma level, the quality goal index (QGI) was <0.8 indicating the area requiring improvement to be imprecision except cholesterol whose QGI >1.2 indicated inaccuracy. This study shows that sigma metrics is a good quality tool to assess the analytical performance of a clinical chemistry laboratory. Thus, sigma metric analysis provides a benchmark for the laboratory to design a protocol for IQC, address poor assay performance, and assess the efficiency of existing laboratory processes.

ABSOLUTE INTEGRAL CROSS SECTIONS AND PRODUCT BRANCHING RATIOS FOR THE VIBRATIONALLY SELECTED ION-MOLECULE REACTIONS: N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}; v {sup +} = 0-2) + CH{sub 4}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Xu Yuntao; Chang, Yih Chung; Lu Zhou

Absolute vibrationally selected integral cross sections ({sigma}{sub v+}'s) for the ion-molecule reaction N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}; v {sup +} = 0-2) + CH{sub 4} have been measured by using the newly developed vacuum ultraviolet (VUV) laser pulsed field ionization-photoion (PFI-PI) double-quadrupole-double-octopole ion guide apparatus. By employing a novel electric field pulsing scheme to the VUV laser PFI-PI source, we have been able to prepare reactant N{sub 2}{sup +} ions in single-vibrational quantum states with not only high intensity and high purity but also high kinetic energy resolution, allowing integral cross section measurements to be conducted in themore » center-of-mass kinetic energies (E{sub cm}'s) from 0.05 to 10.00 eV. Three primary product channels corresponding to the formations of CH{sub 3}{sup +}, CH{sub 2}{sup +}, and N{sub 2}H{sup +} were identified. After correcting for the secondary reactions involving CH{sub 3}{sup +} and CH{sub 2}{sup +}, we have determined the {sigma}{sub v+} values of the formation of these primary product ions, {sigma}{sub v+}(CH{sub 3}{sup +}), {sigma}{sub v+}(CH{sub 2}{sup +}), and {sigma}{sub v+}(N{sub 2}H{sup +}), and their branching ratios, [{sigma}{sub v+}(CH{sub 3}{sup +}): {sigma}{sub v+}(CH{sub 2}{sup +}): {sigma}{sub v+}(N{sub 2}H{sup +})]/{sigma}{sub v+}(CH{sub 3}{sup +} + CH{sub 2}{sup +} + N{sub 2}H{sup +}), v {sup +} = 0-2, in the E{sub cm} range of 0.05-10.00 eV, where {sigma}{sub v+}(CH{sub 3}{sup +} + CH{sub 2}{sup +} + N{sub 2}H{sup +}) = {sigma}{sub v+}(CH{sub 3}{sup +}) + {sigma}{sub v+}(CH{sub 2}{sup +}) + {sigma}{sub v+}(N{sub 2}H{sup +}). The branching ratios are found to be nearly independent of the v {sup +} state and E{sub cm}. Complex v {sup +}-state and E{sub cm} dependences for {sigma}{sub v+}(CH{sub 3}{sup +}), {sigma}{sub v+}(CH{sub 2}{sup +}), and {sigma}{sub v+}(N{sub 2}H{sup +}) along with vibrational inhibition for the formation of these product ions are observed. The vibrational effects on the {sigma}{sub v+} values are sufficiently large to warrant the inclusion of the vibrationally excited reactions N{sub 2}{sup +}(X {sup 2}{Sigma}{sub g}{sup +}; v {sup +} {>=} 1) + CH{sub 4} for a more realistic modeling of the ion and neutral densities observed in the atmosphere of Titan. The cross-sectional data obtained in the present study are also useful for benchmarking theoretical calculations on ion-neutral collision dynamics.« less

Influence of ground-state scattering properties on photoassociation spectra near the intercombination line of bosonic ytterbium

DOE Office of Scientific and Technical Information (OSTI.GOV)

Borkowski, M.; Ciurylo, R.; Julienne, P. S.

2010-10-29

We study theoretically the properties of photoassociation spectra near the {sup 1}S{sub 0}-{sup 3}P{sub 1} inter-combination line of bosonic ytterbium. We construct a mass scaled model of the excited state interaction potential that well describes bound state energies obtained in a previous photoassociation experiment. We then use it to calculate theoretical photoassociation spectra in a range of ultracold temperatures using semianalytical theory developed by Bohn and Julienne.Photoassociation spectra not only give us the energies of excited bound states, but also provide information about the behavior of the ground state wavefunction. In fact, it can be shown that within the so-calledmore » reflection approximation the line intensity is proportional to the ground state wavefunction at the transition's Condon point. We show that in the case of ytterbium, the rotational structure of the photoassociation spectra depends heavily on the behavior of the ground-state wavefunction. The change of the scattering length from one isotope to another and the resulting occurence of shape resonances in higher partial waves determines the appearance and disapperance of rotational components, especially in the deeper lying states, whose respective Condon points lie near the ground state centrifugal barrier. Thus, photoassociation spectra differ qualitatively between isotopes.« less

Dynamics of photoionization from molecular electronic wavepacket states in intense pulse laser fields: A nonadiabatic electron wavepacket study.

PubMed

Matsuoka, Takahide; Takatsuka, Kazuo

2017-04-07

A theory for dynamics of molecular photoionization from nonadiabatic electron wavepackets driven by intense pulse lasers is proposed. Time evolution of photoelectron distribution is evaluated in terms of out-going electron flux (current of the probability density of electrons) that has kinetic energy high enough to recede from the molecular system. The relevant electron flux is in turn evaluated with the complex-valued electronic wavefunctions that are time evolved in nonadiabatic electron wavepacket dynamics in laser fields. To uniquely rebuild such wavefunctions with its electronic population being lost by ionization, we adopt the complex-valued natural orbitals emerging from the electron density as building blocks of the total wavefunction. The method has been implemented into a quantum chemistry code, which is based on configuration state mixing for polyatomic molecules. Some of the practical aspects needed for its application will be presented. As a first illustrative example, we show the results of hydrogen molecule and its isotope substitutes (HD and DD), which are photoionized by a two-cycle pulse laser. Photon emission spectrum associated with above threshold ionization is also shown. Another example is taken from photoionization dynamics from an excited state of a water molecule. Qualitatively significant effects of nonadiabatic interaction on the photoelectron spectrum are demonstrated.

ORBKIT: A modular python toolbox for cross-platform postprocessing of quantum chemical wavefunction data.

PubMed

Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe; Paulus, Beate; Hege, Hans-Christian; Schild, Axel

2016-06-15

ORBKIT is a toolbox for postprocessing electronic structure calculations based on a highly modular and portable Python architecture. The program allows computing a multitude of electronic properties of molecular systems on arbitrary spatial grids from the basis set representation of its electronic wavefunction, as well as several grid-independent properties. The required data can be extracted directly from the standard output of a large number of quantum chemistry programs. ORBKIT can be used as a standalone program to determine standard quantities, for example, the electron density, molecular orbitals, and derivatives thereof. The cornerstone of ORBKIT is its modular structure. The existing basic functions can be arranged in an individual way and can be easily extended by user-written modules to determine any other derived quantity. ORBKIT offers multiple output formats that can be processed by common visualization tools (VMD, Molden, etc.). Additionally, ORBKIT possesses routines to order molecular orbitals computed at different nuclear configurations according to their electronic character and to interpolate the wavefunction between these configurations. The program is open-source under GNU-LGPLv3 license and freely available at https://github.com/orbkit/orbkit/. This article provides an overview of ORBKIT with particular focus on its capabilities and applicability, and includes several example calculations. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Methionine-141 directly influences the binding of 4-methylpyrazole in human sigma sigma alcohol dehydrogenase.

PubMed Central

Xie, P. T.; Hurley, T. D.

1999-01-01

Pyrazole and its 4-alkyl substituted derivatives are potent inhibitors for many alcohol dehydrogenases. However, the human sigma sigma isoenzyme exhibits a 580-fold lower affinity for 4-methylpyrazole than does the human beta1beta1 isoenzyme, with which it shares 69% sequence identity. In this study, structural and kinetic studies were utilized in an effort to identify key structural features that affect the binding of 4-methylpyrazole in human alcohol dehydrogenase isoenzymes. We have extended the resolution of the human sigma sigma alcohol dehydrogenase (ADH) isoenzyme to 2.5 A resolution. Comparison of this structure to the human beta1beta1 isoenzyme structure indicated that the side-chain position for Met141 in sigma sigma ADH might interfere with 4-methylpyrazole binding. Mutation of Met141 in sigma sigma ADH to Leu (sigma141L) lowers the Ki for 4-methylpyrazole from 350 to 10 microM, while having a much smaller effect on the Ki for pyrazole. Thus, the mutagenesis results show that the residue at position 141, which lines the substrate-binding pocket at a position close to the methyl group of 4-methylpyrazole, directly affects the binding of the inhibitor. To rule out nonspecific structural changes due to the mutation, the X-ray structure of the sigma141L mutant enzyme was determined to 2.4 A resolution. The three-dimensional structure of the mutant enzyme is identical to the wild-type enzyme, with the exception of the residue at position 141. Thus, the differences in 4-methylpyrazole binding between the mutant and wild-type sigma sigma ADH isoenzymes can be completely ascribed to the local changes in the topology of the substrate binding site, and provides an explanation for the class-specific differences in 4-methylpyrazole binding to the human ADH isoenzymes. PMID:10631979

Control of transcription of the Bacillus subtilis spoIIIG gene, which codes for the forespore-specific transcription factor sigma G.

PubMed

Sun, D X; Cabrera-Martinez, R M; Setlow, P

1991-05-01

The Bacillus subtilis spoIIIG gene codes for a sigma factor termed sigma G which directs transcription of genes expressed only in the forespore compartment of the sporulating cell. Use of spoIIIG-lacZ transcriptional fusions showed that spoIIIG is cotranscribed with the spoIIG operon beginning at t0.5-1 of sporulation. However, this large mRNA produced little if any sigma G, and transferring the spoIIIG gene without the spoIIG promoter into the amyE locus resulted in a Spo+ phenotype. Significant translation of spoIIIG began at t2.5-3 with use of an mRNA whose 5' end is just upstream of the spoIIIG coding sequence. Synthesis of this spoIIIG-specific mRNA was not abolished by a deletion in spoIIIG itself. Similar results were obtained when a spoIIIG-lacZ translational fusion lacking the spoIIG promoter was integrated at the amyE locus. These data suggest that synthesis of sigma G is dependent neither on transcription from the spoIIG promoter nor on sigma G itself but can be due to another transcription factor. This transcription factor may be sigma F, the product of the spoIIAC locus, since a spoIIAC mutation blocked spoIIIG expression, and sequences upstream of the 5' end of the spoIIIG-specific mRNA agree well with the recognition sequence for sigma F. RNA polymerase containing sigma F (E sigma F) initiated transcription in vitro on a spoIIIG template at the 5' end found in vivo, as did E sigma G. However, E sigma F showed a greater than 20-fold preference for spoIIIG over a known sigma G-dependent gene compared with the activity of E sigma G.

Ab initio calculation of the electronic structures of the (7)Sigma+ ground and A (7)Pi and a (5)Sigma+ excited states of MnH.

PubMed

Tomonari, Mutsumi; Nagashima, Umpei; Hirano, Tsuneo

2009-04-21

Electronic structures and molecular constants of the ground (7)Sigma(+) and low-lying A (7)Pi and a (5)Sigma(+) electronic excited states of the MnH molecule were studied by multireference single and double excitation configuration interaction (MR-SDCI) with Davidson's correction (+Q) calculations under exact C(infinity v) symmetry using Slater-type basis sets. To correctly describe the (7)Sigma(+) electronic ground state, X (7)Sigma(+), at the MR-SDCI+Q calculation, we employed a large number of reference configurations in terms of the state-averaged complete active space self-consistent field (CASSCF) orbitals, taking into account the contribution from the B (7)Sigma(+) excited state. The A (7)Pi and a (5)Sigma(+) states can well be described by the MR-SDCI wave functions based on the CASSCF orbitals obtained for the lowest state only. In the MR-SDCI+Q, calculations of the X (7)Sigma(+), A (7)Pi, and a (5)Sigma(+) states required 16, 7, and 17 reference configurations, respectively. Molecular constants, i.e., r(e) and omega(e) of these states and excitation energy from the X (7)Sigma(+) state, obtained at the MR-SDCI+Q level, showed a good agreement with experimental values. The small remaining differences may be accounted for by taking relativistic effects into account.

Reinforcing effects of sigma-receptor agonists in rats trained to self-administer cocaine.

PubMed

Hiranita, Takato; Soto, Paul L; Tanda, Gianluigi; Katz, Jonathan L

2010-02-01

sigma-Receptor (sigmaR) antagonists have been reported to block certain effects of psychostimulant drugs. The present study examined the effects of sigmaR ligands in rats trained to self-administer cocaine (0.032-1.0 mg/kg/inj i.v.) under fixed-ratio 5-response schedules of reinforcement. Maximal rates of responding were maintained by 0.32 mg/kg/inj cocaine, or by the sigmaR agonists, 1,3-di-(2-tolyl)guanidine (DTG; 1.0 mg/kg/inj) or 2-(4-morpholinethyl) 1-phenylcyclohexane-1-carboxylate hydrochloride (PRE-084; 0.32 mg/kg/inj), when substituted for cocaine. Lower response rates were maintained at higher and lower doses of the compounds. No dose of the sigmaR antagonists [N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(1-pyrrolidinyl)ethylamine (BD 1008), N-[2-(3,4-dichlorophenyl)ethyl]-N-methyl-2-(dimethylamino)ethylamine (BD 1047), N-[2-(3,4-dichlorophenyl)ethyl]-4-methylpiperazine (BD 1063)] maintained responding appreciably above levels obtained when responding had no consequences. Presession treatment with sigmaR agonists dose-dependently shifted the cocaine self-administration dose-effect curve leftward. The dopamine-uptake inhibitor, (-)-2beta-carbomethoxy-3beta-(4-fluorophenyl)tropane (WIN 35,428), dose-dependently shifted the DTG and PRE-084 self-administration dose-effect curves leftward. Treatment with the sigmaR antagonists dose-dependently decreased response rates maintained by DTG or PRE-084, but did not affect cocaine self-administration. Response rates maintained by maximally effective DTG or PRE-084 doses were decreased by sigmaR antagonists at lower doses than those that decreased response rates maintained by food reinforcement. Although sigmaR antagonists block some cocaine-induced effects, the lack of effect on cocaine self-administration suggests that the primary reinforcing effects of cocaine do not involve direct effects at sigmaRs. However, the self-administration of sigmaR agonists in cocaine-trained subjects, facilitation of cocaine self-administration by sigmaR-agonist pretreatment, and the facilitation of sigmaR-agonist self-administration by WIN 35,428, together suggest enhanced abuse-related effects resulting from concomitant dopaminergically mediated actions and sigmaR-mediated actions of the drugs.

Coulomb Scattering in the Massless Nelson Model III: Ground State Wave Functions and Non-commutative Recurrence Relations

NASA Astrophysics Data System (ADS)

Dybalski, Wojciech; Pizzo, Alessandro

2018-02-01

Let $H_{P,\\sigma}$ be the single-electron fiber Hamiltonians of the massless Nelson model at total momentum $P$ and infrared cut-off $\\sigma>0$. We establish detailed regularity properties of the corresponding $n$-particle ground state wave functions $f^n_{P,\\sigma}$ as functions of $P$ and $\\sigma$. In particular, we show that \\[ |\\partial_{P^j}f^{n}_{P,\\sigma}(k_1,\\ldots, k_n)|, \\ \\ |\\partial_{P^j} \\partial_{P^{j'}} f^{n}_{P,\\sigma}(k_1,\\ldots, k_n)| \\leq \\frac{1}{\\sqrt{n!}} \\frac{(c\\lambda_0)^n}{\\sigma^{\\delta_{\\lambda_0}}} \\prod_{i=1}^n\\frac{ \\chi_{[\\sigma,\\kappa)}(k_i)}{|k_i|^{3/2}}, \\] where $c$ is a numerical constant, $\\lambda_0\\mapsto \\delta_{\\lambda_0}$ is a positive function of the maximal admissible coupling constant which satisfies $\\lim_{\\lambda_0\\to 0}\\delta_{\\lambda_0}=0$ and $\\chi_{[\\sigma,\\kappa)}$ is the (approximate) characteristic function of the energy region between the infrared cut-off $\\sigma$ and the ultraviolet cut-off $\\kappa$. While the analysis of the first derivative is relatively straightforward, the second derivative requires a new strategy. By solving a non-commutative recurrence relation we derive a novel formula for $f^n_{P,\\sigma}$ with improved infrared properties. In this representation $\\partial_{P^{j'}}\\partial_{P^{j}}f^n_{P,\\sigma}$ is amenable to sharp estimates obtained by iterative analytic perturbation theory in part II of this series of papers. The bounds stated above are instrumental for scattering theory of two electrons in the Nelson model, as explained in part I of this series.

Renormalization of Coulomb interactions in s-wave superconductor NaxCoO2

NASA Astrophysics Data System (ADS)

Yada, Keiji; Kontani, Hiroshi

2007-03-01

We study the renormalized Coulomb interactions due to retardation effect in NaxCoO2. Although the Morel Anderson's pseudo-potential for a1g orbital μa1g* is relatively large because the direct Coulomb repulsion U is large, that for interband transition between a1g and eg' orbitals μa1g,eg'* is very small since the renormalization factor for pair hopping J is square of that for U. Therefore, the s-wave superconductivity due to valence-band Suhl-Kondo mechanism will survive against strong Coulomb interactions. The interband hopping of Cooper pairs due to shear phonons is essential to understand the superconductivity in NaxCoO2.

Quasiparticle renormalization in ABC graphene trilayers

NASA Astrophysics Data System (ADS)

Dou, Xu; Jaefari, Akbar; Barlas, Yafis; Uchoa, Bruno

2015-03-01

We investigate the effect of electron-electron interactions in ABC stacked graphene trilayers. In the gapless regime, we show that the self-energy corrections lead to the renormalization of the dynamical exponent z = 3 +α1 / N , with α1 ~ 0 . 52 and N is the number of fermionic species. Although the quasiparticle residue is suppressed near the neutrality point, the lifetime has a sublinear scaling with the energy and the quasiparticles are well defined even at zero energy. We calculate the renormalization of a variety of physical observables, which can be directly measured in experiments. X.D., A.J., and B.U. acknowledge University of Oklahoma for support. B.U. acknowledges NSF Career Grant No. DMR-1352604 for partial support.

Calculational Schemes in GUTs

NASA Astrophysics Data System (ADS)

Kounnas, Costas

The following sections are included: * Introduction * Mass Spectrum in a Spontaneously Broken-Theory SU(5) - Minimal Model * Renormalization and Renormalization Group Equation (R.G.E.) * Step Approximation and Decoupling Theorem * Notion of the Effective Coupling Constant * First Estimation of MX, α(MX) and sin2θ(MW) * Renormalization Properties and Photon-Z Mixing * β-Function Definitions * Threshold Functions and Decoupling Theorem * MX-Determination * Proton Lifetime * sin2θ(μ)-Determination * Quark-Lepton Mass Relations (mb/mτ) * Overview of the Conventional GUTs - Hierarchy Problem * Stability of Hierarchy - Supersymmetric GUTS * Cosmologically Acceptable SUSY GUT Models * Radiative Breaking of SU(2) × U(1) — MW/MX Hierarchy Generation * No Scale Supergravity Models^{56,57} Dynamical Determination of M_{B}-M_{F} * Conclusion * References

Two formalisms, one renormalized stress-energy tensor

NASA Astrophysics Data System (ADS)

Barceló, C.; Carballo, R.; Garay, L. J.

2012-04-01

We explicitly compare the structure of the renormalized stress-energy tensor of a massless scalar field in a (1+1) curved spacetime as obtained by two different strategies: normal-mode construction of the field operator and one-loop effective action. We pay special attention to where and how the information related to the choice of vacuum state in both formalisms is encoded. By establishing a clear translation map between both procedures, we show that these two potentially different renormalized stress-energy tensors are actually equal, when using vacuum-state choices related by this map. One specific aim of the analysis is to facilitate the comparison of results regarding semiclassical effects in gravitational collapse as obtained within these different formalisms.

The Holographic F Theorem

NASA Astrophysics Data System (ADS)

Taylor, Marika; Woodhead, William

2017-12-01

The F theorem states that, for a unitary three dimensional quantum field theory, the F quantity defined in terms of the partition function on a three sphere is positive, stationary at fixed point and decreases monotonically along a renormalization group flow. We construct holographic renormalization group flows corresponding to relevant deformations of three-dimensional conformal field theories on spheres, working to quadratic order in the source. For these renormalization group flows, the F quantity at the IR fixed point is always less than F at the UV fixed point, but F increases along the RG flow for deformations by operators of dimension between 3/2 and 5/2. Therefore the strongest version of the F theorem is in general violated.

Observation of the Heavy Baryons Sigma b and Sigma b*.

PubMed

Aaltonen, T; Abulencia, A; Adelman, J; Affolder, T; Akimoto, T; Albrow, M G; Amerio, S; Amidei, D; Anastassov, A; Anikeev, K; Annovi, A; Antos, J; Aoki, M; Apollinari, G; Arisawa, T; Artikov, A; Ashmanskas, W; Attal, A; Aurisano, A; Azfar, F; Azzi-Bacchetta, P; Azzurri, P; Bacchetta, N; Badgett, W; Barbaro-Galtieri, A; Barnes, V E; Barnett, B A; Baroiant, S; Bartsch, V; Bauer, G; Beauchemin, P-H; Bedeschi, F; Behari, S; Bellettini, G; Bellinger, J; Belloni, A; Benjamin, D; Beretvas, A; Beringer, J; Berry, T; Bhatti, A; Binkley, M; Bisello, D; Bizjak, I; Blair, R E; Blocker, C; Blumenfeld, B; Bocci, A; Bodek, A; Boisvert, V; Bolla, G; Bolshov, A; Bortoletto, D; Boudreau, J; Boveia, A; Brau, B; Brigliadori, L; Bromberg, C; Brubaker, E; Budagov, J; Budd, H S; Budd, S; Burkett, K; Busetto, G; Bussey, P; Buzatu, A; Byrum, K L; Cabrera, S; Campanelli, M; Campbell, M; Canelli, F; Canepa, A; Carillo, S; Carlsmith, D; Carosi, R; Carron, S; Casal, B; Casarsa, M; Castro, A; Catastini, P; Cauz, D; Cavalli-Sforza, M; Cerri, A; Cerrito, L; Chang, S H; Chen, Y C; Chertok, M; Chiarelli, G; Chlachidze, G; Chlebana, F; Cho, I; Cho, K; Chokheli, D; Chou, J P; Choudalakis, G; Chuang, S H; Chung, K; Chung, W H; Chung, Y S; Cilijak, M; Ciobanu, C I; Ciocci, M A; Clark, A; Clark, D; Coca, M; Compostella, G; Convery, M E; Conway, J; Cooper, B; Copic, K; Cordelli, M; Cortiana, G; Crescioli, F; Cuenca Almenar, C; Cuevas, J; Culbertson, R; Cully, J C; DaRonco, S; Datta, M; D'Auria, S; Davies, T; Dagenhart, D; de Barbaro, P; De Cecco, S; Deisher, A; De Lentdecker, G; De Lorenzo, G; Dell'Orso, M; Delli Paoli, F; Demortier, L; Deng, J; Deninno, M; De Pedis, D; Derwent, P F; Di Giovanni, G P; Dionisi, C; Di Ruzza, B; Dittmann, J R; D'Onofrio, M; Dörr, C; Donati, S; Dong, P; Donini, J; Dorigo, T; Dube, S; Efron, J; Erbacher, R; Errede, D; Errede, S; Eusebi, R; Fang, H C; Farrington, S; Fedorko, I; Fedorko, W T; Feild, R G; Feindt, M; Fernandez, J P; Field, R; Flanagan, G; Forrest, R; Forrester, S; Franklin, M; Freeman, J C; Furic, I; Gallinaro, M; Galyardt, J; Garcia, J E; Garberson, F; Garfinkel, A F; Gay, C; Gerberich, H; Gerdes, D; Giagu, S; Giannetti, P; Gibson, K; Gimmell, J L; Ginsburg, C; Giokaris, N; Giordani, M; Giromini, P; Giunta, M; Giurgiu, G; Glagolev, V; Glenzinski, D; Gold, M; Goldschmidt, N; Goldstein, J; Golossanov, A; Gomez, G; Gomez-Ceballos, G; Goncharov, M; González, O; Gorelov, I; Goshaw, A T; Goulianos, K; Gresele, A; Grinstein, S; Grosso-Pilcher, C; Grundler, U; Guimaraes da Costa, J; Gunay-Unalan, Z; Haber, C; Hahn, K; Hahn, S R; Halkiadakis, E; Hamilton, A; Han, B-Y; Han, J Y; Handler, R; Happacher, F; Hara, K; Hare, D; Hare, M; Harper, S; Harr, R F; Harris, R M; Hartz, M; Hatakeyama, K; Hauser, J; Hays, C; Heck, M; Heijboer, A; Heinemann, B; Heinrich, J; Henderson, C; Herndon, M; Heuser, J; Hidas, D; Hill, C S; Hirschbuehl, D; Hocker, A; Holloway, A; Hou, S; Houlden, M; Hsu, S-C; Huffman, B T; Hughes, R E; Husemann, U; Huston, J; Incandela, J; Introzzi, G; Iori, M; Ivanov, A; Iyutin, B; James, E; Jang, D; Jayatilaka, B; Jeans, D; Jeon, E J; Jindariani, S; Johnson, W; Jones, M; Joo, K K; Jun, S Y; Jung, J E; Junk, T R; Kamon, T; Karchin, P E; Kato, Y; Kemp, Y; Kephart, R; Kerzel, U; Khotilovich, V; Kilminster, B; Kim, D H; Kim, H S; Kim, J E; Kim, M J; Kim, S B; Kim, S H; Kim, Y K; Kimura, N; Kirsch, L; Klimenko, S; Klute, M; Knuteson, B; Ko, B R; Kondo, K; Kong, D J; Konigsberg, J; Korytov, A; Kotwal, A V; Kraan, A C; Kraus, J; Kreps, M; Kroll, J; Krumnack, N; Kruse, M; Krutelyov, V; Kubo, T; Kuhlmann, S E; Kuhr, T; Kulkarni, N P; Kusakabe, Y; Kwang, S; Laasanen, A T; Lai, S; Lami, S; Lammel, S; Lancaster, M; Lander, R L; Lannon, K; Lath, A; Latino, G; Lazzizzera, I; LeCompte, T; Lee, J; Lee, J; Lee, Y J; Lee, S W; Lefèvre, R; Leonardo, N; Leone, S; Levy, S; Lewis, J D; Lin, C; Lin, C S; Lindgren, M; Lipeles, E; Lister, A; Litvintsev, D O; Liu, T; Lockyer, N S; Loginov, A; Loreti, M; Lu, R-S; Lucchesi, D; Lujan, P; Lukens, P; Lungu, G; Lyons, L; Lys, J; Lysak, R; Lytken, E; Mack, P; MacQueen, D; Madrak, R; Maeshima, K; Makhoul, K; Maki, T; Maksimovic, P; Malde, S; Malik, S; Manca, G; Manousakis, A; Margaroli, F; Marginean, R; Marino, C; Marino, C P; Martin, A; Martin, M; Martin, V; Martínez, M; Martínez-Ballarín, R; Maruyama, T; Mastrandrea, P; Masubuchi, T; Matsunaga, H; Mattson, M E; Mazini, R; Mazzanti, P; McFarland, K S; McIntyre, P; McNulty, R; Mehta, A; Mehtala, P; Menzemer, S; Menzione, A; Merkel, P; Mesropian, C; Messina, A; Miao, T; Miladinovic, N; Miles, J; Miller, R; Mills, C; Milnik, M; Mitra, A; Mitselmakher, G; Miyamoto, A; Moed, S; Moggi, N; Mohr, B; Moon, C S; Moore, R; Morello, M; Movilla Fernandez, P; Mülmenstädt, J; Mukherjee, A; Muller, Th; Mumford, R; Murat, P; Mussini, M; Nachtman, J; Nagano, A; Naganoma, J; Nakamura, K; Nakano, I; Napier, A; Necula, V; Neu, C; Neubauer, M S; Nielsen, J; Nodulman, L; Norniella, O; Nurse, E; Oh, S H; Oh, Y D; Oksuzian, I; Okusawa, T; Oldeman, R; Orava, R; Osterberg, K; Pagliarone, C; Palencia, E; Papadimitriou, V; Papaikonomou, A; Paramonov, A A; Parks, B; Pashapour, S; Patrick, J; Pauletta, G; Paulini, M; Paus, C; Pellett, D E; Penzo, A; Phillips, T J; Piacentino, G; Piedra, J; Pinera, L; Pitts, K; Plager, C; Pondrom, L; Portell, X; Poukhov, O; Pounder, N; Prakoshyn, F; Pronko, A; Proudfoot, J; Ptohos, F; Punzi, G; Pursley, J; Rademacker, J; Rahaman, A; Ramakrishnan, V; Ranjan, N; Redondo, I; Reisert, B; Rekovic, V; Renton, P; Rescigno, M; Richter, S; Rimondi, F; Ristori, L; Robson, A; Rodrigo, T; Rogers, E; Rolli, S; Roser, R; Rossi, M; Rossin, R; Roy, P; Ruiz, A; Russ, J; Rusu, V; Saarikko, H; Safonov, A; Sakumoto, W K; Salamanna, G; Saltó, O; Santi, L; Sarkar, S; Sartori, L; Sato, K; Savard, P; Savoy-Navarro, A; Scheidle, T; Schlabach, P; Schmidt, E E; Schmidt, M A; Schmidt, M P; Schmitt, M; Schwarz, T; Scodellaro, L; Scott, A L; Scribano, A; Scuri, F; Sedov, A; Seidel, S; Seiya, Y; Semenov, A; Sexton-Kennedy, L; Sfyrla, A; Shalhout, S Z; Shapiro, M D; Shears, T; Shepard, P F; Sherman, D; Shimojima, M; Shochet, M; Shon, Y; Shreyber, I; Sidoti, A; Sinervo, P; Sisakyan, A; Slaughter, A J; Slaunwhite, J; Sliwa, K; Smith, J R; Snider, F D; Snihur, R; Soderberg, M; Soha, A; Somalwar, S; Sorin, V; Spalding, J; Spinella, F; Spreitzer, T; Squillacioti, P; Stanitzki, M; Staveris-Polykalas, A; St Denis, R; Stelzer, B; Stelzer-Chilton, O; Stentz, D; Strologas, J; Stuart, D; Suh, J S; Sukhanov, A; Sun, H; Suslov, I; Suzuki, T; Taffard, A; Takashima, R; Takeuchi, Y; Tanaka, R; Tecchio, M; Teng, P K; Terashi, K; Tesarek, R J; Thom, J; Thompson, A S; Thomson, E; Tipton, P; Tiwari, V; Tkaczyk, S; Toback, D; Tokar, S; Tollefson, K; Tomura, T; Tonelli, D; Torre, S; Torretta, D; Tourneur, S; Trischuk, W; Tsuno, S; Tu, Y; Turini, N; Ukegawa, F; Uozumi, S; Vallecorsa, S; van Remortel, N; Varganov, A; Vataga, E; Vazquez, F; Velev, G; Vellidis, C; Veramendi, G; Veszpremi, V; Vidal, M; Vidal, R; Vila, I; Vilar, R; Vine, T; Vogel, M; Vollrath, I; Volobouev, I; Volpi, G; Würthwein, F; Wagner, P; Wagner, R G; Wagner, R L; Wagner, J; Wagner, W; Wallny, R; Wang, S M; Warburton, A; Waters, D; Weinberger, M; Wester, W C; Whitehouse, B; Whiteson, D; Wicklund, A B; Wicklund, E; Williams, G; Williams, H H; Wilson, P; Winer, B L; Wittich, P; Wolbers, S; Wolfe, C; Wright, T; Wu, X; Wynne, S M; Yagil, A; Yamamoto, K; Yamaoka, J; Yamashita, T; Yang, C; Yang, U K; Yang, Y C; Yao, W M; Yeh, G P; Yoh, J; Yorita, K; Yoshida, T; Yu, G B; Yu, I; Yu, S S; Yun, J C; Zanello, L; Zanetti, A; Zaw, I; Zhang, X; Zhou, J; Zucchelli, S

2007-11-16

We report an observation of new bottom baryons produced in pp collisions at the Tevatron. Using 1.1 fb(-1) of data collected by the CDF II detector, we observe four Lambda b 0 pi+/- resonances in the fully reconstructed decay mode Lambda b 0-->Lambda c + pi-, where Lambda c+-->pK* pi+. We interpret these states as the Sigma b(*)+/- baryons and measure the following masses: m Sigma b+=5807.8 -2.2 +2.0(stat.)+/-1.7(syst.) MeV/c2, m Sigma b- =5815.2+/-1.0(stat.)+/-1.7(syst.) MeV/c2, and m(Sigma b*)-m(Sigma b)=21.2-1.9 +2.0(stat.)-0.3+0.4(syst.) MeV/c2.

Mended chiral symmetry and the linear sigma model in one-loop order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scadron, M.D.

1992-02-28

In this paper it is shown that the linear {sigma}-model in one loop order in the chiral limit recovers meson masses m{sub {pi}} = 0, m{sub {sigma}} = 2m{sub qk} (NJL), m {sub {rho}} = {radical}2 g{sub {rho}}f{pi} (KSRF), along with couplings g{sigma}{pi}{pi} = m{sup 2}{sub {sigma}}/2f{pi}, g{rho}{pi}{pi} = g{sub {rho}} (VMD universality) and Weinberg's mended chiral symmetry decay width relation {Gamma}{sub {sigma}} = (9/2){Gamma}{sub {rho}}. The linear {sigma}-model combined quark and meson loops also properly predict the radiative decays {pi}{sup 0} {yields} 2{gamma} {yields} e{nu}{gamma} and {delta}{sup 0} (983) {yields} 2{gamma}.

Effects of sigma-phase formation on some mechanical properties of a wrought nickel-base superalloy (IN-100)

NASA Technical Reports Server (NTRS)

Dreshfield, R. L.; Ashbrook, R. L.

1974-01-01

The effect of sigma phase formation on an extruded and forged nickel base superalloy with the composition of the casting alloy IN-100 was studied. By adding only aluminum and titanium to remelt stock, three compositions were produced which had varying propensities for sigma formation. These compositions were given a four step heat treatment and were stress-ruptured or tensile tested. The very sigma prone composition had a shorter rupture life than the sigma-free or moderately sigma prone compositions when tested at 843 and 885 C. Elongation in room temperature tensile tests was considerably lower for the very sigma prone composition than for the other two wrought compositions after prolonged exposure at 732 or 843 C.

Organohalogen concentrations in blood and adipose tissue of Southern Beaufort Sea polar bears.

PubMed

Bentzen, T W; Muir, D C G; Amstrup, S C; O'Hara, T M

2008-11-15

We analyzed 151 organohalogen chemicals (OHCs) in whole blood and subcutaneous fat of 57 polar bears sampled along the Alaskan Beaufort Sea coast in spring, 2003. All major organochlorine pesticides, PCBs, PBDEs and their congeners were assessed. Concentrations of most OHCs continue to be lower among Southern Beaufort Sea polar bears than reported for other populations. Additionally, toxaphenes and related compounds were assessed in adipose tissue, and 8 perflourinated compounds (PFCs) were examined in blood. Perfluorooctane sulfonate (PFOS) concentrations exceeded those of any other contaminant measured in blood. SigmaChlordane concentrations were higher in females, and both SigmaPCBs and SigmaChlordane concentrations in adipose tissue decreased significantly with age. The rank order of OHC mean concentrations; SigmaPCB>Sigma10PCB>PCB153>SigmaChlordane>Oxychlordane>PCB180>SigmaHCH>beta-HCH>SigmaDDT>p,p-DDE>SigmaPBDE>HCB>Toxaphene was similar for compounds above detection limits in both fat and blood. Although correlation between OHC concentrations in blood and adipose tissue was examined, the predictability of concentrations in one matrix for the other was limited.

Kenneth Wilson and Renormalization

Science.gov Websites

of the Renormalization Group (RG) into a central tool in physics. ... He received a doctorate from one of the most amazing experiences of my life," says Peskin. "He was saying, 'I see the big actually the data you need to move from one scale to another. ... RG theory implies that, with enough

Two-loop renormalization of the quark propagator in the light-cone gauge

NASA Astrophysics Data System (ADS)

Williams, James Daniel

The divergent parts of the five two-loop quark self- energy diagrams of quantum chromodynamics are evaluated in the noncovariant light-cone gauge. Most of the Feynman integrals are computed by means of the powerful matrix integration method, originally developed for the author's Master's thesis. From the results of the integrations, it is shown how to renormalize the quark mass and wave function in such a way that the effective quark propagator is rendered finite at two-loop order. The required counterterms turn out to be local functions of the quark momentum, due to cancellation of the nonlocal divergent parts of the two-loop integrals with equal and opposite contributions from one-loop counterterm subtraction diagrams. The final form of the counterterms is seen to be consistent with the renormalization framework proposed by Bassetto, Dalbosco, and Soldati, in which all noncovariant divergences are absorbed into the wave function normalizations. It also turns out that the mass renormalization d m is the same in the light-cone gauge as it is in a general covariant gauge, at least up to two-loop order.

Renormalizing a viscous fluid model for large scale structure formation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Führer, Florian; Rigopoulos, Gerasimos, E-mail: fuhrer@thphys.uni-heidelberg.de, E-mail: gerasimos.rigopoulos@ncl.ac.uk

2016-02-01

Using the Stochastic Adhesion Model (SAM) as a simple toy model for cosmic structure formation, we study renormalization and the removal of the cutoff dependence from loop integrals in perturbative calculations. SAM shares the same symmetry with the full system of continuity+Euler equations and includes a viscosity term and a stochastic noise term, similar to the effective theories recently put forward to model CDM clustering. We show in this context that if the viscosity and noise terms are treated as perturbative corrections to the standard eulerian perturbation theory, they are necessarily non-local in time. To ensure Galilean Invariance higher ordermore » vertices related to the viscosity and the noise must then be added and we explicitly show at one-loop that these terms act as counter terms for vertex diagrams. The Ward Identities ensure that the non-local-in-time theory can be renormalized consistently. Another possibility is to include the viscosity in the linear propagator, resulting in exponential damping at high wavenumber. The resulting local-in-time theory is then renormalizable to one loop, requiring less free parameters for its renormalization.« less

Nonperturbative renormalization-group approach preserving the momentum dependence of correlation functions

NASA Astrophysics Data System (ADS)

Rose, F.; Dupuis, N.

2018-05-01

We present an approximation scheme of the nonperturbative renormalization group that preserves the momentum dependence of correlation functions. This approximation scheme can be seen as a simple improvement of the local potential approximation (LPA) where the derivative terms in the effective action are promoted to arbitrary momentum-dependent functions. As in the LPA, the only field dependence comes from the effective potential, which allows us to solve the renormalization-group equations at a relatively modest numerical cost (as compared, e.g., to the Blaizot-Mendéz-Galain-Wschebor approximation scheme). As an application we consider the two-dimensional quantum O(N ) model at zero temperature. We discuss not only the two-point correlation function but also higher-order correlation functions such as the scalar susceptibility (which allows for an investigation of the "Higgs" amplitude mode) and the conductivity. In particular, we show how, using Padé approximants to perform the analytic continuation i ωn→ω +i 0+ of imaginary frequency correlation functions χ (i ωn) computed numerically from the renormalization-group equations, one can obtain spectral functions in the real-frequency domain.

Functional renormalization group analysis of tensorial group field theories on Rd

NASA Astrophysics Data System (ADS)

Geloun, Joseph Ben; Martini, Riccardo; Oriti, Daniele

2016-07-01

Rank-d tensorial group field theories are quantum field theories (QFTs) defined on a group manifold G×d , which represent a nonlocal generalization of standard QFT and a candidate formalism for quantum gravity, since, when endowed with appropriate data, they can be interpreted as defining a field theoretic description of the fundamental building blocks of quantum spacetime. Their renormalization analysis is crucial both for establishing their consistency as quantum field theories and for studying the emergence of continuum spacetime and geometry from them. In this paper, we study the renormalization group flow of two simple classes of tensorial group field theories (TGFTs), defined for the group G =R for arbitrary rank, both without and with gauge invariance conditions, by means of functional renormalization group techniques. The issue of IR divergences is tackled by the definition of a proper thermodynamic limit for TGFTs. We map the phase diagram of such models, in a simple truncation, and identify both UV and IR fixed points of the RG flow. Encouragingly, for all the models we study, we find evidence for the existence of a phase transition of condensation type.

Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Mingda; Ding, Zhiwei; Meng, Qingping

Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

Precise MS light-quark masses from lattice QCD in the regularization invariant symmetric momentum-subtraction scheme

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gorbahn, Martin; Jaeger, Sebastian; Department of Physics and Astronomy, University of Sussex, Falmer, Brighton BN1 9QH

2010-12-01

We compute the conversion factors needed to obtain the MS and renormalization-group-invariant (RGI) up, down, and strange quark masses at next-to-next-to-leading order from the corresponding parameters renormalized in the recently proposed RI/SMOM and RI/SMOM{sub {gamma}{sub {mu}} }renormalization schemes. This is important for obtaining the MS masses with the best possible precision from numerical lattice QCD simulations, because the customary RI{sup (')}/MOM scheme is afflicted with large irreducible uncertainties both on the lattice and in perturbation theory. We find that the smallness of the known one-loop matching coefficients is accompanied by even smaller two-loop contributions. From a study of residual scalemore » dependences, we estimate the resulting perturbative uncertainty on the light-quark masses to be about 2% in the RI/SMOM scheme and about 3% in the RI/SMOM{sub {gamma}{sub {mu}} }scheme. Our conversion factors are given in fully analytic form, for general covariant gauge and renormalization point. We provide expressions for the associated anomalous dimensions.« less

Renormalization group fixed points of foliated gravity-matter systems

NASA Astrophysics Data System (ADS)

Biemans, Jorn; Platania, Alessia; Saueressig, Frank

2017-05-01

We employ the Arnowitt-Deser-Misner formalism to study the renormalization group flow of gravity minimally coupled to an arbitrary number of scalar, vector, and Dirac fields. The decomposition of the gravitational degrees of freedom into a lapse function, shift vector, and spatial metric equips spacetime with a preferred (Euclidean) "time"- direction. In this work, we provide a detailed derivation of the renormalization group flow of Newton's constant and the cosmological constant on a flat Friedmann-Robertson-Walker background. Adding matter fields, it is shown that their contribution to the flow is the same as in the covariant formulation and can be captured by two parameters d g d λ . We classify the resulting fixed point structure as a function of these parameters finding that the existence of non-Gaussian renormalization group fixed points is rather generic. In particular the matter content of the standard model and its most common extensions gives rise to one non-Gaussian fixed point with real critical exponents suitable for Asymptotic Safety. Moreover, we find non-Gaussian fixed points for any number of scalar matter fields, making the scenario attractive for cosmological model building.

Nonperturbative Quantum Nature of the Dislocation–Phonon Interaction

DOE PAGES

Li, Mingda; Ding, Zhiwei; Meng, Qingping; ...

2017-01-31

Despite the long history of dislocation–phonon interaction studies, there are many problems that have not been fully resolved during this development. These include an incompatibility between a perturbative approach and the long-range nature of a dislocation, the relation between static and dynamic scattering, and their capability of dealing with thermal transport phenomena for bulk material only. Here in this paper, by utilizing a fully quantized dislocation field, which we called a “dislon”, a phonon interacting with a dislocation is renormalized as a quasi-phonon, with shifted quasi-phonon energy, and accompanied by a finite quasi-phonon lifetime, which are reducible to classical results.more » A series of outstanding legacy issues including those above can be directly explained within this unified phonon renormalization approach. For instance, a renormalized phonon naturally resolves the decade-long debate between dynamic and static dislocation–phonon scattering approaches, as two limiting cases. In particular, at nanoscale, both the dynamic and static approaches break down, while the present renormalization approach remains valid by capturing the size effect, showing good agreement with lattice dynamics simulations.« less

Under the knife: a national survey of six sigma programs in US healthcare organizations.

PubMed

Feng, Qianmei; Manuel, Chris M

2008-01-01

Medical and policy literature reports many six sigma applications at specific healthcare organizations. However, there is a lack of studies that investigate the broader status of six sigma in US healthcare systems. The purpose of this paper is to present the results from a national survey of six sigma programs in US healthcare organizations. Through the design, distribution, and analysis of a nationwide survey, this paper assesses the implementation of six sigma in healthcare facilities. Two sets of surveys were designed based on whether an organization has adopted six sigma or not. Findings from this paper indicate the common six sigma projects implemented in healthcare organizations, typical implementation durations, cost benefits, and major barriers in implementation, and so on. This paper is limited by the low-response rate owing to time and budget constraints. Through the dissemination of this paper, it is hoped that more organizations will become interested in this subject and participate in future studies. This work is the first study to investigate the implementation status of six sigma in US healthcare systems. It will share experiences amongst six sigma institutions and promote its application in many institutions. The findings will provide instructive information to six sigma practitioners and researchers, and particularly to health care management.

Effect of tree structure on X-band microwave signature of conifers

NASA Technical Reports Server (NTRS)

Mougin, Eric; Lopes, Armand; Karam, Mostafa A.; Fung, Adrian K.

1993-01-01

Experimental studies are performed on some coniferous trees (Austrian pine, Nordmann spruce, and Norway spruce) to investigate the relation between the tree architecture and radar signal at X-band. For a single tree, the RCS is measured as a function of the scatterer location at 90 deg incidence. It is found that the main scatterers are the leafy branches and the difference between sigma(vv) and sigma(hh) is significant at the upper portion of the tree. At the lower portion of the tree, sigma(vv) and sigma(hh) have almost the same level. For a group of trees the angular trends of sigma(vv) and sigma(hh) are measured. It is found that the levels of sigma(vv) and sigma(hh) are of the same order, but their angular trends vary from one tree species to the other depending on the tree species structure. The interpretation of these experimental results is carried out with the help of a theoretical model which accounts for the structure of the tree. According to this theoretical study, the major scattering trend is due to the leaves, while the perturbation to the angular trend and the level difference between sigma(vv) and sigma(hh) are due to the branch orientation distributions (i.e., the tree architecture).

Aβ mediates Sigma receptor degradation via CaN/NFAT pathway

PubMed Central

Fang, Min; Zhang, Pei; Zhao, Yanxin; Jin, Aiping; Liu, Xueyuan

2016-01-01

Sigma receptor is an endoplasmic reticulum protein and belongs to non-opioid receptor. Increasing evidence shows that Sigma receptor activation can significantly attenuate AD induced neurological dysfunction and the functional deficiency of Sigma receptor plays an important role in the Aβ induced neuronal loss. This study aimed to investigate the influence of extracellular accumulation of Aβ on the Sigma receptor expression. Our results showed the increase in extracellular Aβ had little influence on the mRNA expression of Sigma receptor, but gradually reduced its protein expression. Co-immunoprecipitation was employed to evaluate the interaction of Sigma receptor with other proteins. Results showed BIP could bind to Sigma receptor to affect the ubiquitination of Sigma receptor. Further investigation showed there was a NFAT binding site at the promoter of BIP. Then, Western blot assay was performed to detect NFAT expression. Results showed extracellular Aβ affected the nuclear translocation of NFAT and the CaN activity of NFAT also increased with the accumulation of extracellular Aβ. In this study, NFAT-BIP luciferase reporter gene system was constructed. Results showed NFAT was able to regulate the transcription of BIP. Thus, we speculate that extracellular Aβ accumulation may activate CaN/NFAT signaling pathway to induce chaperone BIP expression, which results in Sigma receptor ubiquitination and its degradation. PMID:27648137

Fluctuation-enhanced electric conductivity in electrolyte solutions

DOE PAGES

Péraud, Jean-Philippe; Nonaka, Andrew J.; Bell, John B.; ...

2017-09-26

In this work, we analyze the effects of an externally applied electric field on thermal fluctuations for a binary electrolyte fluid. We show that the fluctuating Poisson–Nernst–Planck (PNP) equations for charged multispecies diffusion coupled with the fluctuating fluid momentum equation result in enhanced charge transport via a mechanism distinct from the well-known enhancement of mass transport that accompanies giant fluctuations. Although the mass and charge transport occurs by advection by thermal velocity fluctuations, it can macroscopically be represented as electrodiffusion with renormalized electric conductivity and a nonzero cation–anion diffusion coefficient. Specifically, we predict a nonzero cation–anion Maxwell– Stefan coefficient proportionalmore » to the square root of the salt concentration, a prediction that agrees quantitatively with experimental measurements. The renormalized or effective macroscopic equations are different from the starting PNP equations, which contain no cross-diffusion terms, even for rather dilute binary electrolytes. At the same time, for infinitely dilute solutions the renormalized electric conductivity and renormalized diffusion coefficients are consistent and the classical PNP equations with renormalized coefficients are recovered, demonstrating the self-consistency of the fluctuating hydrodynamics equations. Our calculations show that the fluctuating hydrodynamics approach recovers the electrophoretic and relaxation corrections obtained by Debye–Huckel–Onsager theory, while elucidating the physical origins of these corrections and generalizing straightforwardly to more complex multispecies electrolytes. Lastly, we show that strong applied electric fields result in anisotropically enhanced “giant” velocity fluctuations and reduced fluctuations of salt concentration.« less

Fluctuation-enhanced electric conductivity in electrolyte solutions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Péraud, Jean-Philippe; Nonaka, Andrew J.; Bell, John B.

In this work, we analyze the effects of an externally applied electric field on thermal fluctuations for a binary electrolyte fluid. We show that the fluctuating Poisson–Nernst–Planck (PNP) equations for charged multispecies diffusion coupled with the fluctuating fluid momentum equation result in enhanced charge transport via a mechanism distinct from the well-known enhancement of mass transport that accompanies giant fluctuations. Although the mass and charge transport occurs by advection by thermal velocity fluctuations, it can macroscopically be represented as electrodiffusion with renormalized electric conductivity and a nonzero cation–anion diffusion coefficient. Specifically, we predict a nonzero cation–anion Maxwell– Stefan coefficient proportionalmore » to the square root of the salt concentration, a prediction that agrees quantitatively with experimental measurements. The renormalized or effective macroscopic equations are different from the starting PNP equations, which contain no cross-diffusion terms, even for rather dilute binary electrolytes. At the same time, for infinitely dilute solutions the renormalized electric conductivity and renormalized diffusion coefficients are consistent and the classical PNP equations with renormalized coefficients are recovered, demonstrating the self-consistency of the fluctuating hydrodynamics equations. Our calculations show that the fluctuating hydrodynamics approach recovers the electrophoretic and relaxation corrections obtained by Debye–Huckel–Onsager theory, while elucidating the physical origins of these corrections and generalizing straightforwardly to more complex multispecies electrolytes. Lastly, we show that strong applied electric fields result in anisotropically enhanced “giant” velocity fluctuations and reduced fluctuations of salt concentration.« less

RELATIVISTIC MAGNETOHYDRODYNAMICS: RENORMALIZED EIGENVECTORS AND FULL WAVE DECOMPOSITION RIEMANN SOLVER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Anton, Luis; MartI, Jose M; Ibanez, Jose M

2010-05-01

We obtain renormalized sets of right and left eigenvectors of the flux vector Jacobians of the relativistic MHD equations, which are regular and span a complete basis in any physical state including degenerate ones. The renormalization procedure relies on the characterization of the degeneracy types in terms of the normal and tangential components of the magnetic field to the wave front in the fluid rest frame. Proper expressions of the renormalized eigenvectors in conserved variables are obtained through the corresponding matrix transformations. Our work completes previous analysis that present different sets of right eigenvectors for non-degenerate and degenerate states, andmore » can be seen as a relativistic generalization of earlier work performed in classical MHD. Based on the full wave decomposition (FWD) provided by the renormalized set of eigenvectors in conserved variables, we have also developed a linearized (Roe-type) Riemann solver. Extensive testing against one- and two-dimensional standard numerical problems allows us to conclude that our solver is very robust. When compared with a family of simpler solvers that avoid the knowledge of the full characteristic structure of the equations in the computation of the numerical fluxes, our solver turns out to be less diffusive than HLL and HLLC, and comparable in accuracy to the HLLD solver. The amount of operations needed by the FWD solver makes it less efficient computationally than those of the HLL family in one-dimensional problems. However, its relative efficiency increases in multidimensional simulations.« less

The Escherichia coli regulator of sigma 70 protein, Rsd, can up-regulate some stress-dependent promoters by sequestering sigma 70.

PubMed

Mitchell, Jennie E; Oshima, Taku; Piper, Sarah E; Webster, Christine L; Westblade, Lars F; Karimova, Gouzel; Ladant, Daniel; Kolb, Annie; Hobman, Jon L; Busby, Stephen J W; Lee, David J

2007-05-01

The Escherichia coli Rsd protein forms complexes with the RNA polymerase sigma(70) factor, but its biological role is not understood. Transcriptome analysis shows that overexpression of Rsd causes increased expression from some promoters whose expression depends on the alternative sigma(38) factor, and this was confirmed by experiments with lac fusions at selected promoters. The LP18 substitution in Rsd increases the Rsd-dependent stimulation of these promoter-lac fusions. Analysis with a bacterial two-hybrid system shows that the LP18 substitution in Rsd increases its interaction with sigma(70). Our experiments support a model in which the role of Rsd is primarily to sequester sigma(70), thereby increasing the levels of RNA polymerase containing the alternative sigma(38) factor.

Active participation of Hsp90 in the biogenesis of the trimeric reovirus cell attachment protein sigma1.

PubMed

Gilmore, R; Coffey, M C; Lee, P W

1998-06-12

The reovirus cell attachment protein, sigma1, is a lollipop-shaped homotrimer with an N-terminal fibrous tail and a C-terminal globular head. Biogenesis of this protein involves two trimerization events: N-terminal trimerization, which occurs cotranslationally and is Hsp70/ATP-independent, and C-terminal trimerization, which occurs posttranslationally and is Hsp70/ATP-dependent. To determine if Hsp90 also plays a role in sigma1 biogenesis, we analyzed sigma1 synthesized in rabbit reticulocyte lysate. Coprecipitation experiments using anti-Hsp90 antibodies revealed that Hsp90 was associated with immature sigma1 trimers (hydra-like intermediates with assembled N termini and unassembled C termini) but not with mature trimers. The use of truncated sigma1 further demonstrated that only the C-terminal half of sigma1 associated with Hsp90. In the presence of the Hsp90 binding drug geldanamycin, N-terminal trimerization proceeded normally, but C-terminal trimerization was blocked. Geldanamycin did not inhibit the association of Hsp90 with sigma 1 but prevented the subsequent release of Hsp90 from the immature sigma1 complex. We also examined the status of p23, an Hsp90-associated cochaperone. Like Hsp90, p23 only associated with immature sigma1 trimers, and this association was mapped to the C-terminal half of sigma1. However, unlike Hsp90, p23 was released from the sigma1 complex upon the addition of geldanamycin. These results highlight an all-or-none concept of chaperone involvement in different oligomerization domains within a single protein and suggest a possible common usage of chaperones in the regulation of general protein folding and of steroid receptor activation.

Defining the disulphide stress response in Streptomyces coelicolor A3(2): identification of the sigmaR regulon.

PubMed

Paget, M S; Molle, V; Cohen, G; Aharonowitz, Y; Buttner, M J

2001-11-01

In the Gram-positive, antibiotic-producing bacterium Streptomyces coelicolor A3(2), the thiol-disulphide status of the hyphae is controlled by a novel regulatory system consisting of a sigma factor, sigmaR, and its cognate anti-sigma factor, RsrA. Oxidative stress induces intramolecular disulphide bond formation in RsrA, which causes it to lose affinity for sigmaR, thereby releasing sigmaR to activate transcription of the thioredoxin operon, trxBA. Here, we exploit a preliminary consensus sequence for sigmaR target promoters to identify 27 new sigmaR target genes and operons, thereby defining the global response to disulphide stress in this organism. Target genes related to thiol metabolism encode a second thioredoxin (TrxC), a glutaredoxin-like protein and enzymes involved in the biosynthesis of the low-molecular-weight thiol-containing compounds cysteine and molybdopterin. In addition, the level of the major actinomycete thiol buffer, mycothiol, was fourfold lower in a sigR null mutant, although no candidate mycothiol biosynthetic genes were identified among the sigmaR targets. Three sigmaR target genes encode ribosome-associated products (ribosomal subunit L31, ppGpp synthetase and tmRNA), suggesting that the translational machinery is modified by disulphide stress. The product of another sigmaR target gene was found to be a novel RNA polymerase-associated protein, RbpA, suggesting that the transcriptional machinery may also be modified in response to disulphide stress. We present DNA sequence evidence that many of the targets identified in S. coelicolor are also under the control of the sigmaR homologue in the actinomycete pathogen Mycobacterium tuberculosis.

Redox-dependent changes in RsrA, an anti-sigma factor in Streptomyces coelicolor: zinc release and disulfide bond formation.

PubMed

Bae, Jae-Bum; Park, Joo-Hong; Hahn, Mi-Young; Kim, Min-Sik; Roe, Jung-Hye

2004-01-09

sigmaR is a sigma factor for transcribing genes to defend cells against oxidative stresses in the antibiotic-producing bacterium Streptomyces coelicolor. The availability of sigmaR is regulated by RsrA, an anti-sigma factor, whose sigmaR-binding activity is regulated by redox changes in the environment, via thiol-disulfide exchange. We found that reduced RsrA contains zinc in a stoichiometric amount, whereas oxidized form has very little: 1 mol of zinc per mol of RsrA was released upon oxidation as monitored by a chromogenic Zn-chelator, 4-(2-pyridylazo)-resorcinol (PAR). Measurement of zinc bound in several RsrA mutants of various cysteine and histidine substitutions suggested that C3, H7, C41, and C44 serve as zinc-binding sites. The zinc-binding and sigmaR-binding activities of mutant proteins did not coincide, suggesting that zinc might not be absolutely required for the anti-sigma activity of RsrA. Zn-free apo-RsrA bound sigmaR and inhibited sigmaR-dependent transcription in vitro. Compared with Zn-RsrA, the anti-transcription activity of apo-RsrA was about threefold lower and its sigmaR-binding affinity decreased by about ninefold when measured by surface plasmon resonance analysis. Apo-RsrA was more sensitive to protease, suggesting that zinc allows RsrA to maintain a more compact structure, optimized for binding sigmaR. The cysteine pairs that form disulfide bonds were determined by MALDI-TOF mass spectrometry, revealing formation of the critical disulfide bond between C11 and one of the essential cysteine residues C41 or 44, most likely C44. An improved model for the mechanism of redox-modulation of RsrA was presented.

PyR@TE. Renormalization group equations for general gauge theories

NASA Astrophysics Data System (ADS)

Lyonnet, F.; Schienbein, I.; Staub, F.; Wingerter, A.

2014-03-01

Although the two-loop renormalization group equations for a general gauge field theory have been known for quite some time, deriving them for specific models has often been difficult in practice. This is mainly due to the fact that, albeit straightforward, the involved calculations are quite long, tedious and prone to error. The present work is an attempt to facilitate the practical use of the renormalization group equations in model building. To that end, we have developed two completely independent sets of programs written in Python and Mathematica, respectively. The Mathematica scripts will be part of an upcoming release of SARAH 4. The present article describes the collection of Python routines that we dubbed PyR@TE which is an acronym for “Python Renormalization group equations At Two-loop for Everyone”. In PyR@TE, once the user specifies the gauge group and the particle content of the model, the routines automatically generate the full two-loop renormalization group equations for all (dimensionless and dimensionful) parameters. The results can optionally be exported to LaTeX and Mathematica, or stored in a Python data structure for further processing by other programs. For ease of use, we have implemented an interactive mode for PyR@TE in form of an IPython Notebook. As a first application, we have generated with PyR@TE the renormalization group equations for several non-supersymmetric extensions of the Standard Model and found some discrepancies with the existing literature. Catalogue identifier: AERV_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AERV_v1_0.html Program obtainable from: CPC Program Library, Queen’s University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 924959 No. of bytes in distributed program, including test data, etc.: 495197 Distribution format: tar.gz Programming language: Python. Computer: Personal computer. Operating system: Tested on Fedora 15, MacOS 10 and 11, Ubuntu 12. Classification: 11.1. External routines: SymPy, PyYAML, NumPy, IPython, SciPy Nature of problem: Deriving the renormalization group equations for a general quantum field theory. Solution method: Group theory, tensor algebra Running time: Tens of seconds per model (one-loop), tens of minutes (two-loop)

Renormalization group invariance and optimal QCD renormalization scale-setting: a key issues review.

PubMed

Wu, Xing-Gang; Ma, Yang; Wang, Sheng-Quan; Fu, Hai-Bing; Ma, Hong-Hao; Brodsky, Stanley J; Mojaza, Matin

2015-12-01

A valid prediction for a physical observable from quantum field theory should be independent of the choice of renormalization scheme--this is the primary requirement of renormalization group invariance (RGI). Satisfying scheme invariance is a challenging problem for perturbative QCD (pQCD), since a truncated perturbation series does not automatically satisfy the requirements of the renormalization group. In a previous review, we provided a general introduction to the various scale setting approaches suggested in the literature. As a step forward, in the present review, we present a discussion in depth of two well-established scale-setting methods based on RGI. One is the 'principle of maximum conformality' (PMC) in which the terms associated with the β-function are absorbed into the scale of the running coupling at each perturbative order; its predictions are scheme and scale independent at every finite order. The other approach is the 'principle of minimum sensitivity' (PMS), which is based on local RGI; the PMS approach determines the optimal renormalization scale by requiring the slope of the approximant of an observable to vanish. In this paper, we present a detailed comparison of the PMC and PMS procedures by analyzing two physical observables R(e+e-) and [Formula: see text] up to four-loop order in pQCD. At the four-loop level, the PMC and PMS predictions for both observables agree within small errors with those of conventional scale setting assuming a physically-motivated scale, and each prediction shows small scale dependences. However, the convergence of the pQCD series at high orders, behaves quite differently: the PMC displays the best pQCD convergence since it eliminates divergent renormalon terms; in contrast, the convergence of the PMS prediction is questionable, often even worse than the conventional prediction based on an arbitrary guess for the renormalization scale. PMC predictions also have the property that any residual dependence on the choice of initial scale is highly suppressed even for low-order predictions. Thus the PMC, based on the standard RGI, has a rigorous foundation; it eliminates an unnecessary systematic error for high precision pQCD predictions and can be widely applied to virtually all high-energy hadronic processes, including multi-scale problems.

Renormalization group invariance and optimal QCD renormalization scale-setting: a key issues review

NASA Astrophysics Data System (ADS)

Wu, Xing-Gang; Ma, Yang; Wang, Sheng-Quan; Fu, Hai-Bing; Ma, Hong-Hao; Brodsky, Stanley J.; Mojaza, Matin

2015-12-01

A valid prediction for a physical observable from quantum field theory should be independent of the choice of renormalization scheme—this is the primary requirement of renormalization group invariance (RGI). Satisfying scheme invariance is a challenging problem for perturbative QCD (pQCD), since a truncated perturbation series does not automatically satisfy the requirements of the renormalization group. In a previous review, we provided a general introduction to the various scale setting approaches suggested in the literature. As a step forward, in the present review, we present a discussion in depth of two well-established scale-setting methods based on RGI. One is the ‘principle of maximum conformality’ (PMC) in which the terms associated with the β-function are absorbed into the scale of the running coupling at each perturbative order; its predictions are scheme and scale independent at every finite order. The other approach is the ‘principle of minimum sensitivity’ (PMS), which is based on local RGI; the PMS approach determines the optimal renormalization scale by requiring the slope of the approximant of an observable to vanish. In this paper, we present a detailed comparison of the PMC and PMS procedures by analyzing two physical observables R e+e- and Γ(H\\to b\\bar{b}) up to four-loop order in pQCD. At the four-loop level, the PMC and PMS predictions for both observables agree within small errors with those of conventional scale setting assuming a physically-motivated scale, and each prediction shows small scale dependences. However, the convergence of the pQCD series at high orders, behaves quite differently: the PMC displays the best pQCD convergence since it eliminates divergent renormalon terms; in contrast, the convergence of the PMS prediction is questionable, often even worse than the conventional prediction based on an arbitrary guess for the renormalization scale. PMC predictions also have the property that any residual dependence on the choice of initial scale is highly suppressed even for low-order predictions. Thus the PMC, based on the standard RGI, has a rigorous foundation; it eliminates an unnecessary systematic error for high precision pQCD predictions and can be widely applied to virtually all high-energy hadronic processes, including multi-scale problems.

Modulation of serotonergic neurotransmission by short- and long-term treatments with sigma ligands

PubMed Central

Bermack, J E; Debonnel, G

2001-01-01

Sigma receptors were first described in 1976 as opiate receptors but were later determined to be a distinct class of receptors with two subtypes, sigma1 and sigma2. Although the endogenous ligand is yet to be elucidated, the sigma1 receptor has recently been cloned. Behavioural models used to test potential antidepressants have shown sigma ligands to produce antidepressant effects but their mechanism of action is unknown. The goal of the present study was to assess the effects of various sigma1 ligands on the firing activity of serotonin (5-HT) neurons of the dorsal raphe nucleus (DRN) using extracellular in vivo recordings in anaesthetized rats. The sigma1 ligands (+)-pentazocine and 4-(N-benzylpiperidin-4-yl)-4-iodobenzamide (4-IBP) (2 mg kg−1 day−1) increased markedly 5-HT firing activity after 2 days of treatment and maintained the same increased firing rate after long-term (21 days) treatments. Furthermore, the increased firing rate produced by 2 and 21 day treatments with (+)-pentazocine was prevented by the co-administration of N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)-thylamine (NE-100) (10 mg kg−1 day−1) a selective sigma1 antagonist, confirming the sigma1 receptor's modulation of these effects. In contrast, the sigma1 ligands (+)-N-cyclopropylmethyl-N-methyl-1,4-diphenyl-1-1-ethyl-but-3-en-1-ylamine hydrochloride (JO-1784) and 2-(4-morpholinoethyl 1-phenyl-cyclohexane-1-carboxylate hydrochloride (PRE-084) had no effect. Following a 21-day treatment with (+)-pentazocine there was a marked reduction in the number of neurons found per track. This decrease was not seen after chronic treatment with 4-IBP and may represent a depolarization block. These results suggest a modulation of serotonergic neurotransmission by some sigma receptors and provide a potential mechanism for the ‘antidepressant effects' reported and provide evidence toward sigma1 ligands as potential antidepressants with a rapid onset of action. PMID:11588125

Modulation of serotonergic neurotransmission by short- and long-term treatments with sigma ligands.

PubMed

Bermack, J E; Debonnel, G

2001-10-01

1. Sigma receptors were first described in 1976 as opiate receptors but were later determined to be a distinct class of receptors with two subtypes, sigma(1) and sigma(2). Although the endogenous ligand is yet to be elucidated, the sigma(1) receptor has recently been cloned. 2. Behavioural models used to test potential antidepressants have shown sigma ligands to produce antidepressant effects but their mechanism of action is unknown. 3. The goal of the present study was to assess the effects of various sigma(1) ligands on the firing activity of serotonin (5-HT) neurons of the dorsal raphe nucleus (DRN) using extracellular in vivo recordings in anaesthetized rats. 4. The sigma(1) ligands (+)-pentazocine and 4-(N-benzylpiperidin-4-yl)-4-iodobenzamide (4-IBP) (2 mg kg(-1) day(-1)) increased markedly 5-HT firing activity after 2 days of treatment and maintained the same increased firing rate after long-term (21 days) treatments. Furthermore, the increased firing rate produced by 2 and 21 day treatments with (+)-pentazocine was prevented by the co-administration of N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)-thylamine (NE-100) (10 mg kg(-1) day(-1)) a selective sigma(1) antagonist, confirming the sigma(1) receptor's modulation of these effects. In contrast, the sigma(1) ligands (+)-N-cyclopropylmethyl-N-methyl-1,4-diphenyl-1-1-ethyl-but-3-en-1-ylamine hydrochloride (JO-1784) and 2-(4-morpholinoethyl 1-phenyl-cyclohexane-1-carboxylate hydrochloride (PRE-084) had no effect. 5. Following a 21-day treatment with (+)-pentazocine there was a marked reduction in the number of neurons found per track. This decrease was not seen after chronic treatment with 4-IBP and may represent a depolarization block. 6. These results suggest a modulation of serotonergic neurotransmission by some sigma receptors and provide a potential mechanism for the 'antidepressant effects' reported and provide evidence toward sigma(1) ligands as potential antidepressants with a rapid onset of action.

Sigma metrics as a tool for evaluating the performance of internal quality control in a clinical chemistry laboratory

PubMed Central

Kumar, B. Vinodh; Mohan, Thuthi

2018-01-01

OBJECTIVE: Six Sigma is one of the most popular quality management system tools employed for process improvement. The Six Sigma methods are usually applied when the outcome of the process can be measured. This study was done to assess the performance of individual biochemical parameters on a Sigma Scale by calculating the sigma metrics for individual parameters and to follow the Westgard guidelines for appropriate Westgard rules and levels of internal quality control (IQC) that needs to be processed to improve target analyte performance based on the sigma metrics. MATERIALS AND METHODS: This is a retrospective study, and data required for the study were extracted between July 2015 and June 2016 from a Secondary Care Government Hospital, Chennai. The data obtained for the study are IQC - coefficient of variation percentage and External Quality Assurance Scheme (EQAS) - Bias% for 16 biochemical parameters. RESULTS: For the level 1 IQC, four analytes (alkaline phosphatase, magnesium, triglyceride, and high-density lipoprotein-cholesterol) showed an ideal performance of ≥6 sigma level, five analytes (urea, total bilirubin, albumin, cholesterol, and potassium) showed an average performance of <3 sigma level and for level 2 IQCs, same four analytes of level 1 showed a performance of ≥6 sigma level, and four analytes (urea, albumin, cholesterol, and potassium) showed an average performance of <3 sigma level. For all analytes <6 sigma level, the quality goal index (QGI) was <0.8 indicating the area requiring improvement to be imprecision except cholesterol whose QGI >1.2 indicated inaccuracy. CONCLUSION: This study shows that sigma metrics is a good quality tool to assess the analytical performance of a clinical chemistry laboratory. Thus, sigma metric analysis provides a benchmark for the laboratory to design a protocol for IQC, address poor assay performance, and assess the efficiency of existing laboratory processes. PMID:29692587

Fundamental aspects of the phase retrieval problem

NASA Astrophysics Data System (ADS)

Ferwerda, H. A.

1980-12-01

A review is given of the fundamental aspects of the phase retrieval problem in optical imaging for one dimension. The phase problem is treated using the fact that the wavefunction in the image-plane is a band-limited entire function of order 1. The ambiguity of the phase reconstruction is formulated in terms of the complex zeros of entire functions. Procedures are given how the relevant zeros might be determined. When the zeros are known one can derive dispersion relations which relate the phase of the wavefunction to the intensity distribution. The phase problem of coherence theory is similar to the previously discussed problem and is briefly touched upon. The extension of the phase problem to two dimensions is not straight-forward and still remains to be solved.

Dynamics of a coherently driven micromaser by the Monte Carlo wavefunction approach

NASA Astrophysics Data System (ADS)

Bonacina, L.; Casagrande, F.; Lulli, A.

2000-08-01

Using a Monte Carlo wavefunction approach we investigate the dynamics of a micromaser driven by a resonant coherent field. At steady state, for increasing interaction times, the system exhibits driven Rabi oscillations, followed by collapse as the range of micromaser trapping states is approached. The system operates in regimes ranging from a strong to a weak amplifier. In the strong-amplifier regime the cavity mode shows a preferred phase and can exhibit quadrature squeezing and sub-Poissonian photon statistics. In the weak-amplifier regime the cavity mode has no preferred phase, is super-Poissonian and is influenced by trapping effects; no revival of Rabi oscillations occurs. The main predictions can be compared with experimental measurements on the populations of atoms leaving the cavity.

Cusp conditions for two electrons atoms in the Hylleraas aproximation

NASA Astrophysics Data System (ADS)

Carvalho, F. S.; Braga, J. P.

2018-07-01

In this work it was shown how cusp conditions in radial coordinates are implied in the fundamental idea of the R12 method used in electronic structure calculations. We also derived the cusp conditions in Hylleraas coordinates through Hamiltonian singularities analysis. The functions described in literature which depend on these variables were investigated and it was found that these functions do not necessarily satisfy the cusp conditions, although they return good energy results with few parameters. Starting from the cusp conditions derived in the Hylleraas coordinates, three restrictions were established for the wavefunctions. An example of this correct cusp behavior for a particular wavefunctions is given. This issue is of great importance since the cusp conditions guarantee a better convergence for numerical results.

76 FR 13515 - Medicare Program; Revisions to the Reductions and Increases to Hospitals' FTE Resident Caps for...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-03-14

..., [Sigma] line 3.08 minus [Sigma] (lines 3.04 + 3.05-applicable section 422 reduction amount). For direct GME, [Sigma] line 3.05 minus [Sigma] (lines 3.01 + 3.02-applicable section 422 reduction amount). (5...

The alternative sigma factor, sigmaS, affects polyhydroxyalkanoate metabolism in Pseudomonas putida.

PubMed

Raiger-Iustman, Laura J; Ruiz, Jimena A

2008-07-01

To determine whether the stationary sigma factor, sigma(S), influences polyhydroxyalkanoate metabolism in Pseudomonas putida KT2440, an rpoS-negative mutant was constructed to evaluate polyhydroxyalkanoate accumulation and expression of a translational fusion to the promoter region of the genes that code for polyhydroxyalkanoate synthase 1 (phaC1) and polyhydroxyalkanoate depolymerase (phaZ). By comparison with the wild-type, the rpoS mutant showed a higher polyhydroxyalkanoate degradation rate and increased expression of the translational fusion during the stationary growth phase. These results suggest that sigma(S) might control the genes involved in polyhydroxyalkanoate metabolism, possibly in an indirect manner. In addition, survival and oxidative stress assays performed under polyhydroxyalkanoate- and nonpolyhydroxyalkanoate- accumulating conditions demonstrated that the accumulated polyhydroxyalkanoate increased the survival and stress tolerance of the rpoS mutant. According to this, polyhydroxyalkanoate accumulation would help cells to overcome the adverse conditions encountered during the stationary phase in the strain that lacks RpoS.

Sigma receptors as potential therapeutic targets for neuroprotection.

PubMed

Nguyen, Linda; Kaushal, Nidhi; Robson, Matthew J; Matsumoto, Rae R

2014-11-15

Sigma receptors comprise a unique family of proteins that have been implicated in the pathophysiology and treatment of many central nervous system disorders, consistent with their high level of expression in the brain and spinal cord. Mounting evidence indicate that targeting sigma receptors may be particularly beneficial in a number of neurodegenerative conditions including Alzheimer׳s disease, Parkinson׳s disease, stroke, methamphetamine neurotoxicity, Huntington׳s disease, amyotrophic lateral sclerosis, and retinal degeneration. In this perspective, a brief overview is given on sigma receptors, followed by a focus on common mechanisms of neurodegeneration that appear amenable to modulation by sigma receptor ligands to convey neuroprotective effects and/or restorative functions. Within each of the major mechanisms discussed herein, the neuroprotective effects of sigma ligands are summarized, and when known, the specific sigma receptor subtype(s) involved are identified. Together, the literature suggests sigma receptors may provide a novel target for combatting neurodegenerative diseases through both neuronal and glial mechanisms. Copyright © 2014 Elsevier B.V. All rights reserved.

Sigma: Strain-level inference of genomes from metagenomic analysis for biosurveillance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahn, Tae-Hyuk; Chai, Juanjuan; Pan, Chongle

Motivation: Metagenomic sequencing of clinical samples provides a promising technique for direct pathogen detection and characterization in biosurveillance. Taxonomic analysis at the strain level can be used to resolve serotypes of a pathogen in biosurveillance. Sigma was developed for strain-level identification and quantification of pathogens using their reference genomes based on metagenomic analysis. Results: Sigma provides not only accurate strain-level inferences, but also three unique capabilities: (i) Sigma quantifies the statistical uncertainty of its inferences, which includes hypothesis testing of identified genomes and confidence interval estimation of their relative abundances; (ii) Sigma enables strain variant calling by assigning metagenomic readsmore » to their most likely reference genomes; and (iii) Sigma supports parallel computing for fast analysis of large datasets. In conclusion, the algorithm performance was evaluated using simulated mock communities and fecal samples with spike-in pathogen strains. Availability and Implementation: Sigma was implemented in C++ with source codes and binaries freely available at http://sigma.omicsbio.org.« less

Sigma: Strain-level inference of genomes from metagenomic analysis for biosurveillance

DOE PAGES

Ahn, Tae-Hyuk; Chai, Juanjuan; Pan, Chongle

2014-09-29

Motivation: Metagenomic sequencing of clinical samples provides a promising technique for direct pathogen detection and characterization in biosurveillance. Taxonomic analysis at the strain level can be used to resolve serotypes of a pathogen in biosurveillance. Sigma was developed for strain-level identification and quantification of pathogens using their reference genomes based on metagenomic analysis. Results: Sigma provides not only accurate strain-level inferences, but also three unique capabilities: (i) Sigma quantifies the statistical uncertainty of its inferences, which includes hypothesis testing of identified genomes and confidence interval estimation of their relative abundances; (ii) Sigma enables strain variant calling by assigning metagenomic readsmore » to their most likely reference genomes; and (iii) Sigma supports parallel computing for fast analysis of large datasets. In conclusion, the algorithm performance was evaluated using simulated mock communities and fecal samples with spike-in pathogen strains. Availability and Implementation: Sigma was implemented in C++ with source codes and binaries freely available at http://sigma.omicsbio.org.« less

The sigma-2 receptor as a therapeutic target for drug delivery in triple negative breast cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Makvandi, Mehran; Tilahun, Estifanos D.; Lieberman, Brian P.

Background: Triple-negative breast cancer (TNBC) is associated with high relapse rates and increased mortality when compared with other breast cancer subtypes. In contrast to receptor positive breast cancers, there are no approved targeted therapies for TNBC. Identifying biomarkers for TNBC is of high importance for the advancement of patient care. The sigma-2 receptor has been shown to be overexpressed in triple negative breast cancer in vivo and has been characterized as a marker of proliferation. The aim of the present study was to define the sigma-2 receptor as a target for therapeutic drug delivery and biomarker in TNBC. Methods: Three TNBCmore » cell lines were evaluated: MDA-MB-231, HCC1937 and HCC1806. Sigma-2 compounds were tested for pharmacological properties specific to the sigma-2 receptor through competitive inhibition assays. Sigma-2 receptor expression was measured through radioligand receptor saturation studies. Drug sensitivity for taxol was compared to a sigma-2 targeting compound conjugated to a cytotoxic payload, SW IV-134. Cell viability was assessed after treatments for 2 or 48 h. Sigma-2 blockade was assessed to define sigma-2 mediated cytotoxicity of SW IV-134. Caspase 3/7 activation induced by SW IV-134 was measured at corresponding treatment time points. Results: SW IV-134 was the most potent compound tested in two of the three cell lines and was similarly effective in all three. MDA-MB-231 displayed a statistically significant higher sigma-2 receptor expression and also was the most sensitive cell line evaluated to SW IV-134. Conclusion: Targeting the sigma-2 receptor with a cytotoxic payload was effective in all the three cell lines evaluated and provides the proof of concept for future development of a therapeutic platform for the treatment of TNBC. - Highlights: • TNBC cells are sensitive to sigma-2 receptor targeted drug conjugate SW IV-134. • MDA-MB-231 displayed the highest amount of sigma-2 receptors and corresponded well with sensitivity. • The sigma-2 receptor is a potential biomarker in TNBC for prognosis and therapy.« less

Sigma-1 receptor: the novel intracellular target of neuropsychotherapeutic drugs.

PubMed

Hayashi, Teruo

2015-01-01

Sigma-1 receptor ligands have been long expected to serve as drugs for treatment of human diseases such as neurodegenerative disorders, depression, idiopathic pain, drug abuse, and cancer. Recent research exploring the molecular function of the sigma-1 receptor started unveiling underlying mechanisms of the therapeutic activity of those ligands. Via the molecular chaperone activity, the sigma-1 receptor regulates protein folding/degradation, ER/oxidative stress, and cell survival. The chaperone activity is activated or inhibited by synthetic sigma-1 receptor ligands in an agonist-antagonist manner. Sigma-1 receptors are localized at the endoplasmic reticulum (ER) membranes that are physically associated with the mitochondria (MAM: mitochondria-associated ER membrane). In specific types of neurons (e.g., those at the spinal cord), sigma-1 receptors are also clustered at ER membranes that juxtapose postsynaptic plasma membranes. Recent studies indicate that sigma-1 receptors, partly in sake of its unique subcellular localization, regulate the mitochondria function that involves bioenergetics and free radical generation. The sigma-1 receptor may thus provide an intracellular drug target that enables controlling ER stress and free radical generation under pathological conditions. Copyright © 2014 Japanese Pharmacological Society. Production and hosting by Elsevier B.V. All rights reserved.

Variance and covariance estimates for weaning weight of Senepol cattle.

PubMed

Wright, D W; Johnson, Z B; Brown, C J; Wildeus, S

1991-10-01

Variance and covariance components were estimated for weaning weight from Senepol field data for use in the reduced animal model for a maternally influenced trait. The 4,634 weaning records were used to evaluate 113 sires and 1,406 dams on the island of St. Croix. Estimates of direct additive genetic variance (sigma 2A), maternal additive genetic variance (sigma 2M), covariance between direct and maternal additive genetic effects (sigma AM), permanent maternal environmental variance (sigma 2PE), and residual variance (sigma 2 epsilon) were calculated by equating variances estimated from a sire-dam model and a sire-maternal grandsire model, with and without the inverse of the numerator relationship matrix (A-1), to their expectations. Estimates were sigma 2A, 139.05 and 138.14 kg2; sigma 2M, 307.04 and 288.90 kg2; sigma AM, -117.57 and -103.76 kg2; sigma 2PE, -258.35 and -243.40 kg2; and sigma 2 epsilon, 588.18 and 577.72 kg2 with and without A-1, respectively. Heritability estimates for direct additive (h2A) were .211 and .210 with and without A-1, respectively. Heritability estimates for maternal additive (h2M) were .47 and .44 with and without A-1, respectively. Correlations between direct and maternal (IAM) effects were -.57 and -.52 with and without A-1, respectively.

Two-loop renormalization of gaugino masses in general supersymmetric gauge models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yamada, Y.

1994-01-03

We calculate the two-loop renormalization group equations for the running gaugino masses in general supersymmetry (SUSY) gauge models, improving our previous result. We also study its consequences on the unification of the gaugino masses in the SUSY SU(5) model. The two-loop correction to the one-loop relation [ital m][sub [ital i

Galilean invariance and vertex renormalization in turbulence theory.

PubMed

McComb, W D

2005-03-01

The Navier-Stokes equation is invariant under Galilean transformation of the instantaneous velocity field. However, the total velocity transformation is effected by transformation of the mean velocity alone. For a constant mean velocity, the equation of motion for the fluctuating velocity is automatically Galilean invariant in the comoving frame, and vertex renormalization is not constrained by this symmetry.

Group-theoretical model of developed turbulence and renormalization of the Navier-Stokes equation.

PubMed

Saveliev, V L; Gorokhovski, M A

2005-07-01

On the basis of the Euler equation and its symmetry properties, this paper proposes a model of stationary homogeneous developed turbulence. A regularized averaging formula for the product of two fields is obtained. An equation for the averaged turbulent velocity field is derived from the Navier-Stokes equation by renormalization-group transformation.

Large-cell renormalisation and systems of dimensionality larger than the upper marginal dimension

NASA Technical Reports Server (NTRS)

Nakanishi, H.

1984-01-01

A recent argument dismissing the applicability of large-cell renormalization schemes to systems whose dimensionality is larger than the upper marginal dimension is critically discussed. In this connection, new large-cell renormalization results for the random walk for a dimensionality of 3 and 4 are presented which indicate convergence to the correct results.

Model representations for systems of selfadjoint operators satisfying commutation relations

NASA Astrophysics Data System (ADS)

Zolotarev, Vladimir A.

2010-12-01

Model representations are constructed for a system \\{B_k\\}_1^n of bounded linear selfadjoint operators in a Hilbert space H such that \\displaystyle \\lbrack B_k,B_s \\rbrack =\\frac i2\\varphi^*R_{k,s}^-\\varphi, \\qquad\\sigma_k\\varphi B_s-\\sigma_s\\varphi B_k=R_{k,s}^+\\varphi, \\displaystyle \\sigma_k\\varphi\\varphi^*\\sigma_s-\\sigma_s\\varphi\\varphi^*\\sigma_k=2iR_{k,s}^-,\\qquad1\\le k, s\\le n, where \\varphi is a linear operator from H into a Hilbert space E and \\{\\sigma_k,R_{k,s}^+/-\\}_1^n are some selfadjoint operators in E. A realization of these models in function spaces on a Riemann surface is found and a full set of invariants for \\{B_k\\}_1^n is described. Bibliography: 11 titles.

Rayleigh surface wave interaction with the 2D exciton Bose-Einstein condensate

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boev, M. V.; Kovalev, V. M., E-mail: vadimkovalev@isp.nsc.ru

We describe the interaction of a Rayleigh surface acoustic wave (SAW) traveling on the semiconductor substrate with the excitonic gas in a double quantum well located on the substrate surface. We study the SAW attenuation and its velocity renormalization due to the coupling to excitons. Both the deformation potential and piezoelectric mechanisms of the SAW-exciton interaction are considered. We focus on the frequency and excitonic density dependences of the SAW absorption coefficient and velocity renormalization at temperatures both above and well below the critical temperature of Bose-Einstein condensation of the excitonic gas. We demonstrate that the SAW attenuation and velocitymore » renormalization are strongly different below and above the critical temperature.« less

Poissonian renormalizations, exponentials, and power laws.

PubMed

Eliazar, Iddo

2013-05-01

This paper presents a comprehensive "renormalization study" of Poisson processes governed by exponential and power-law intensities. These Poisson processes are of fundamental importance, as they constitute the very bedrock of the universal extreme-value laws of Gumbel, Fréchet, and Weibull. Applying the method of Poissonian renormalization we analyze the emergence of these Poisson processes, unveil their intrinsic dynamical structures, determine their domains of attraction, and characterize their structural phase transitions. These structural phase transitions are shown to be governed by uniform and harmonic intensities, to have universal domains of attraction, to uniquely display intrinsic invariance, and to be intimately connected to "white noise" and to "1/f noise." Thus, we establish a Poissonian explanation to the omnipresence of white and 1/f noises.

Functional renormalization group and Kohn-Sham scheme in density functional theory

NASA Astrophysics Data System (ADS)

Liang, Haozhao; Niu, Yifei; Hatsuda, Tetsuo

2018-04-01

Deriving accurate energy density functional is one of the central problems in condensed matter physics, nuclear physics, and quantum chemistry. We propose a novel method to deduce the energy density functional by combining the idea of the functional renormalization group and the Kohn-Sham scheme in density functional theory. The key idea is to solve the renormalization group flow for the effective action decomposed into the mean-field part and the correlation part. Also, we propose a simple practical method to quantify the uncertainty associated with the truncation of the correlation part. By taking the φ4 theory in zero dimension as a benchmark, we demonstrate that our method shows extremely fast convergence to the exact result even for the highly strong coupling regime.

A GPU-based large-scale Monte Carlo simulation method for systems with long-range interactions

NASA Astrophysics Data System (ADS)

Liang, Yihao; Xing, Xiangjun; Li, Yaohang

2017-06-01

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD) architectures, and adopts the sequential updating scheme of Metropolis algorithm. It makes no approximation in the computation of energy, and reaches a remarkable 440-fold speedup, compared with the serial implementation on CPU. We further use this method to simulate primitive model electrolytes, and measure very precisely all ion-ion pair correlation functions at high concentrations. From these data, we extract the renormalized Debye length, renormalized valences of constituent ions, and renormalized dielectric constants. These results demonstrate unequivocally physics beyond the classical Poisson-Boltzmann theory.

Fixing the fixed-point system—Applying Dynamic Renormalization Group to systems with long-range interactions

NASA Astrophysics Data System (ADS)

Katzav, Eytan

2013-04-01

In this paper, a mode of using the Dynamic Renormalization Group (DRG) method is suggested in order to cope with inconsistent results obtained when applying it to a continuous family of one-dimensional nonlocal models. The key observation is that the correct fixed-point dynamical system has to be identified during the analysis in order to account for all the relevant terms that are generated under renormalization. This is well established for static problems, however poorly implemented in dynamical ones. An application of this approach to a nonlocal extension of the Kardar-Parisi-Zhang equation resolves certain problems in one-dimension. Namely, obviously problematic predictions are eliminated and the existing exact analytic results are recovered.

Functional renormalization group for the U (1 )-T56 tensorial group field theory with closure constraint

NASA Astrophysics Data System (ADS)

Lahoche, Vincent; Ousmane Samary, Dine

2017-02-01

This paper is focused on the functional renormalization group applied to the T56 tensor model on the Abelian group U (1 ) with closure constraint. For the first time, we derive the flow equations for the couplings and mass parameters in a suitable truncation around the marginal interactions with respect to the perturbative power counting. For the second time, we study the behavior around the Gaussian fixed point, and show that the theory is nonasymptotically free. Finally, we discuss the UV completion of the theory. We show the existence of several nontrivial fixed points, study the behavior of the renormalization group flow around them, and point out evidence in favor of an asymptotically safe theory.

Renormalization group flow of the Higgs potential

NASA Astrophysics Data System (ADS)

Gies, Holger; Sondenheimer, René

2018-01-01

We summarize results for local and global properties of the effective potential for the Higgs boson obtained from the functional renormalization group, which allows one to describe the effective potential as a function of both scalar field amplitude and renormalization group scale. This sheds light onto the limitations of standard estimates which rely on the identification of the two scales and helps in clarifying the origin of a possible property of meta-stability of the Higgs potential. We demonstrate that the inclusion of higher-dimensional operators induced by an underlying theory at a high scale (GUT or Planck scale) can relax the conventional lower bound on the Higgs mass derived from the criterion of absolute stability. This article is part of the Theo Murphy meeting issue `Higgs cosmology'.

Loop optimization for tensor network renormalization

NASA Astrophysics Data System (ADS)

Yang, Shuo; Gu, Zheng-Cheng; Wen, Xiao-Gang

We introduce a tensor renormalization group scheme for coarse-graining a two-dimensional tensor network, which can be successfully applied to both classical and quantum systems on and off criticality. The key idea of our scheme is to deform a 2D tensor network into small loops and then optimize tensors on each loop. In this way we remove short-range entanglement at each iteration step, and significantly improve the accuracy and stability of the renormalization flow. We demonstrate our algorithm in the classical Ising model and a frustrated 2D quantum model. NSF Grant No. DMR-1005541 and NSFC 11274192, BMO Financial Group, John Templeton Foundation, Government of Canada through Industry Canada, Province of Ontario through the Ministry of Economic Development & Innovation.

E-cigarette marketing and older smokers: road to renormalization.

PubMed

Cataldo, Janine K; Petersen, Anne Berit; Hunter, Mary; Wang, Julie; Sheon, Nicolas

2015-05-01

To describe older smokers' perceptions of risks and use of e-cigarettes, and their responses to marketing and knowledge of, and opinions about, regulation of e-cigarettes. Eight 90-minute focus groups with 8 to 9 participants met in urban and suburban California to discuss topics related to cigarettes and alternative tobacco products. Older adults are using e-cigarettes for cessation and as a way to circumvent no-smoking policies; they have false perceptions about the effectiveness and safety of e-cigarettes. They perceive e-cigarette marketing as a way to renormalize smoking. To stem the current epidemic of nicotine addiction, the FDA must take immediate action because e-cigarette advertising promotes dual use and may contribute to the renormalization of smoking.

Interacting Electrons in Graphene: Fermi Velocity Renormalization and Optical Response

NASA Astrophysics Data System (ADS)

Stauber, T.; Parida, P.; Trushin, M.; Ulybyshev, M. V.; Boyda, D. L.; Schliemann, J.

2017-06-01

We have developed a Hartree-Fock theory for electrons on a honeycomb lattice aiming to solve a long-standing problem of the Fermi velocity renormalization in graphene. Our model employs no fitting parameters (like an unknown band cutoff) but relies on a topological invariant (crystal structure function) that makes the Hartree-Fock sublattice spinor independent of the electron-electron interaction. Agreement with the experimental data is obtained assuming static self-screening including local field effects. As an application of the model, we derive an explicit expression for the optical conductivity and discuss the renormalization of the Drude weight. The optical conductivity is also obtained via precise quantum Monte Carlo calculations which compares well to our mean-field approach.

Anomalous dimension in a two-species reaction-diffusion system

NASA Astrophysics Data System (ADS)

Vollmayr-Lee, Benjamin; Hanson, Jack; McIsaac, R. Scott; Hellerick, Joshua D.

2018-01-01

We study a two-species reaction-diffusion system with the reactions A+A\\to (0, A) and A+B\\to A , with general diffusion constants D A and D B . Previous studies showed that for dimensions d≤slant 2 the B particle density decays with a nontrivial, universal exponent that includes an anomalous dimension resulting from field renormalization. We demonstrate via renormalization group methods that the scaled B particle correlation function has a distinct anomalous dimension resulting in the asymptotic scaling \\tilde CBB(r, t) ˜ tφf(r/\\sqrt{t}) , where the exponent ϕ results from the renormalization of the square of the field associated with the B particles. We compute this exponent to first order in \

A functional renormalization method for wave propagation in random media

NASA Astrophysics Data System (ADS)

Lamagna, Federico; Calzetta, Esteban

2017-08-01

We develop the exact renormalization group approach as a way to evaluate the effective speed of the propagation of a scalar wave in a medium with random inhomogeneities. We use the Martin-Siggia-Rose formalism to translate the problem into a non equilibrium field theory one, and then consider a sequence of models with a progressively lower infrared cutoff; in the limit where the cutoff is removed we recover the problem of interest. As a test of the formalism, we compute the effective dielectric constant of an homogeneous medium interspersed with randomly located, interpenetrating bubbles. A simple approximation to the renormalization group equations turns out to be equivalent to a self-consistent two-loops evaluation of the effective dielectric constant.

Velocity renormalization in graphene: The role of trigonal warping and electron-phonon coupling effects

NASA Astrophysics Data System (ADS)

Kandemir, B. S.; Gökçek, N.

2017-12-01

We investigate the combined effects of trigonal warping and electron-phonon interactions on the renormalization of the Fermi velocity in graphene. We present an analytical solution to the associated Fröhlich Hamiltonian describing the interaction of doubly degenerate-optical phonon modes of graphene with electrons in the presence of trigonal warp within the framework of Lee-Low-Pines theory. On the basis of our model, it is analytically shown that in addition to its renormalization, Fermi velocity exhibits strong anisotropy due to the trigonal warping. It is also found that in the regime where the trigonal warp starts, distortion of energy bands emerges due to electron-phonon coupling, and the bands exhibit strong anisotropy.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Widesott, Lamberto; Lomax, Antony J.; Schwarz, Marco

Purpose: To assess the quality of dose distributions in real clinical cases for different dimensions of scanned proton pencil beams. The distance between spots (i.e., the grid of delivery) is optimized for each dimension of the pencil beam. Methods: The authors vary the {sigma} of the initial Gaussian size of the spot, from {sigma}{sub x} = {sigma}{sub y} = 3 mm to {sigma}{sub x} = {sigma}{sub y} = 8 mm, to evaluate the impact of the proton beam size on the quality of intensity modulated proton therapy (IMPT) plans. The distance between spots, {Delta}x and {Delta}y, is optimized on themore » spot plane, ranging from 4 to 12 mm (i.e., each spot size is coupled with the best spot grid resolution). In our Hyperion treatment planning system (TPS), constrained optimization is applied with respect to the organs at risk (OARs), i.e., the optimization tries to satisfy the dose objectives in the planning target volume (PTV) as long as all planning objectives for the OARs are met. Three-field plans for a nasopharynx case, two-field plans for a prostate case, and two-field plans for a malignant pleural mesothelioma case are considered in our analysis. Results: For the head and neck tumor, the best grids (i.e., distance between spots) are 5, 4, 6, 6, and 8 mm for {sigma} = 3, 4, 5, 6, and 8 mm, respectively. {sigma} {<=} 5 mm is required for tumor volumes with low dose and {sigma}{<=} 4 mm for tumor volumes with high dose. For the prostate patient, the best grid is 4, 4, 5, 5, and 5 mm for {sigma} = 3, 4, 5, 6, and 8 mm, respectively. Beams with {sigma} > 3 mm did not satisfy our first clinical requirement that 95% of the prescribed dose is delivered to more than 95% of prostate and proximal seminal vesicles PTV. Our second clinical requirement, to cover the distal seminal vesicles PTV, is satisfied for beams as wide as {sigma} = 6 mm. For the mesothelioma case, the low dose PTV prescription is well respected for all values of {sigma}, while there is loss of high dose PTV coverage for {sigma} > 5 mm. The best grids have a spacing of 6, 7, 8, 9, and 12 mm for {sigma} = 3, 4, 5, 6, and 8 mm, respectively. Conclusions: The maximum acceptable proton pencil beam {sigma} depends on the volume treated, the protocol of delivery, and optimization of the plan. For the clinical cases, protocol and optimization used in this analysis, acceptable {sigma}s are {<=} 4 mm for the head and neck tumor, {<=} 3 mm for the prostate tumor and {<=} 6 mm for the malignant pleural mesothelioma. One can apply the same procedure used in this analysis when given a ''class'' of patients, a {sigma} and a clinical protocol to determine the optimal grid spacing.« less

Sigma metrics used to assess analytical quality of clinical chemistry assays: importance of the allowable total error (TEa) target.

PubMed

Hens, Koen; Berth, Mario; Armbruster, Dave; Westgard, Sten

2014-07-01

Six Sigma metrics were used to assess the analytical quality of automated clinical chemistry and immunoassay tests in a large Belgian clinical laboratory and to explore the importance of the source used for estimation of the allowable total error. Clinical laboratories are continually challenged to maintain analytical quality. However, it is difficult to measure assay quality objectively and quantitatively. The Sigma metric is a single number that estimates quality based on the traditional parameters used in the clinical laboratory: allowable total error (TEa), precision and bias. In this study, Sigma metrics were calculated for 41 clinical chemistry assays for serum and urine on five ARCHITECT c16000 chemistry analyzers. Controls at two analyte concentrations were tested and Sigma metrics were calculated using three different TEa targets (Ricos biological variability, CLIA, and RiliBÄK). Sigma metrics varied with analyte concentration, the TEa target, and between/among analyzers. Sigma values identified those assays that are analytically robust and require minimal quality control rules and those that exhibit more variability and require more complex rules. The analyzer to analyzer variability was assessed on the basis of Sigma metrics. Six Sigma is a more efficient way to control quality, but the lack of TEa targets for many analytes and the sometimes inconsistent TEa targets from different sources are important variables for the interpretation and the application of Sigma metrics in a routine clinical laboratory. Sigma metrics are a valuable means of comparing the analytical quality of two or more analyzers to ensure the comparability of patient test results.

Efficiencies of Rotational Raman, and Rayleigh Techniques for Laser Remote Sensing of the Atmospheric Temperature

NASA Technical Reports Server (NTRS)

Ivanova, I. D.; Gurdev, L. L.; Mitev, V. M.

1992-01-01

Various lidar methods have been developed for measuring the atmospheric temperature, making use of the temperature dependant characteristics of rotational Raman scattering (RRS) from nitrogen and oxygen, and Rayleigh or Rayleigh-Brillowin scattering (RS or RBS). These methods have various advantages and disadvantages as compared to each other but their potential accuracies are principal characteristics of their efficiency. No systematic attempt has been undertaken so far to compare the efficiences, in the above meaning, of different temperature lidar methods. Two RRS techniques have been compared. Here, we do such a comparison using two methods based on the detection and analysis of RS (RBS) spectra. Four methods are considered here for measuring the atmospheric temperature. One of them (Schwiesow and Lading, 1981) is based on an analysis of the RS linewidth with two Michelson interferometers (MI) in parallel. The second method (Shimisu et al., 1986) employs a high-resolution analysis of the RBS line shape. The third method (Cooney, 1972) employs the temperature dependance of the RRS spectrum envelope. The fourth method (Armstrong, 1974) makes use of a scanning Fabry-Perot interferometer (FPI) as a comb filter for processing the periodic RRS spectrum of the nitrogen. Let us denote the corresponding errors in measuring the temperature by sigma(sub MI), sigma(sub HR), sigma(sub ENV), and sigma(sub FPI). Let us also define the ratios chi(sub 1) = sigma(sub MI)/sigma(sub ENV), chi(sub 2) = sigma(sub HR)/sigma(sub ENV), and chi(sub 3) = sigma(sub FPI)/sigma(sub ENV) interpreted as relative errors with respect to sigma(sub ENV).

Mutational analysis of RsrA, a zinc-binding anti-sigma factor with a thiol-disulphide redox switch.

PubMed

Paget, M S; Bae, J B; Hahn, M Y; Li, W; Kleanthous, C; Roe, J H; Buttner, M J

2001-02-01

In the Gram-positive bacterium, Streptomyces coelicolor A3(2), expression of the thioredoxin system is modulated by a sigma factor called sigmaR in response to changes in the cytoplasmic thiol-disulphide status, and the activity of sigmaR is controlled post-translationally by an anti-sigma factor, RsrA. In vitro, the anti-sigma factor activity of RsrA, which contains seven cysteines, correlates with its thiol-disulphide redox status. Here, we investigate the function of RsrA in vivo. A constructed rsrA null mutant had very high constitutive levels of disulphide reductase activity and sigmaR-dependent transcription, confirming that RsrA is a negative regulator of sigmaR and a key sensor of thiol-disulphide status. Targeted mutagenesis revealed that three of the seven cysteines in RsrA (C11, C41 and C44) were essential for anti-sigma factor activity and that a mutant RsrA protein containing only these three cysteines was active and still redox sensitive in vivo. We also show that RsrA is a metalloprotein, containing near-stoichiometric amounts of zinc. On the basis of these data, we propose that a thiol-disulphide redox switch is formed between two of C11, C41 and C44, and that all three residues play an essential role in anti-sigma factor activity in their reduced state, perhaps by acting as ligands for zinc. Unexpectedly, rsrA null mutants were blocked in sporulation, probably as a consequence of an increase in the level of free sigmaR.

Discretized torsional dynamics and the folding of an RNA chain.

PubMed

Fernández, A; Salthú, R; Cendra, H

1999-08-01

The aim of this work is to implement a discrete coarse codification of local torsional states of the RNA chain backbone in order to explore the long-time limit dynamics and ultimately obtain a coarse solution to the RNA folding problem. A discrete representation of the soft-mode dynamics is turned into an algorithm for a rough structure prediction. The algorithm itself is inherently parallel, as it evaluates concurrent folding possibilities by pattern recognition, but it may be implemented in a personal computer as a chain of perturbation-translation-renormalization cycles performed on a binary matrix of local topological constraints. This requires suitable representational tools and a periodic quenching of the dynamics for system renormalization. A binary coding of local topological constraints associated with each structural motif is introduced, with each local topological constraint corresponding to a local torsional state. This treatment enables us to adopt a computation time step far larger than hydrodynamic drag time scales. Accordingly, the solvent is no longer treated as a hydrodynamic drag medium. Instead we incorporate its capacity for forming local conformation-dependent dielectric domains. Each translation of the matrix of local topological constraints (LTM's) depends on the conformation-dependent local dielectric created by a confined solvent. Folding pathways are resolved as transitions between patterns of locally encoded structural signals which change within the 1 ns-100 ms time scale range. These coarse folding pathways are generated by a search at regular intervals for structural patterns in the LTM. Each pattern is recorded as a base-pairing pattern (BPP) matrix, a consensus-evaluation operation subject to a renormalization feedback loop. Since several mutually conflicting consensus evaluations might occur at a given time, the need arises for a probabilistic approach appropriate for an ensemble of RNA molecules. Thus, a statistical dynamics of consensus formation is determined by the time evolution of the base pairing probability matrix. These dynamics are generated for a functional RNA molecule, a representative of the so-called group I ribozymes, in order to test the model. The resulting ensemble of conformations is sharply peaked and the most probable structure features the predominance of all phylogenetically conserved intrachain helices tantamount to ribozyme function. Furthermore, the magnesium-aided cooperativity that leads to the shaping of the catalytic core is elucidated. Once the predictive folding algorithm has been implemented, the validity of the so-called "adiabatic approximation" is tested. This approximation requires that conformational microstates be lumped up into BPP's which are treated as quasiequilibrium states, while folding pathways are coarsely represented as sequences of BPP transitions. To test the validity of this adiabatic ansatz, a computation of the coarse Shannon information entropy sigma associated to the specific partition of conformation space into BPP's is performed taking into account the LTM evolution and contrasted with the adiabatic computation. The results reveal a subordination of torsional microstate dynamics to BPP transitions within time scales relevant to folding. This adiabatic entrainment in the long-time limit is thus identified as responsible for the expediency of the folding process.

Incorporating Six Sigma Methodology Training into Chemical Engineering Education

ERIC Educational Resources Information Center

Dai, Lenore L.

2007-01-01

Six Sigma is a buzz term in today's technology and business world and there has been increasing interest to initiate Six Sigma training in college education. We have successfully incorporated Six Sigma methodology training into a traditional chemical engineering course, Engineering Experimentation, at Texas Tech University. The students have…

Switches from pi- to sigma-bonding complexes controlled by gate voltages.

PubMed

Matsui, Eriko; Harnack, Oliver; Matsuzawa, Nobuyuki N; Yasuda, Akio

2005-10-01

A conjugated polymer/metal ion/liquid-crystal molecular system was set between source and drain electrodes with a 100 nm gap. When gate voltage (Vg) increases, the current between source and drain electrodes increases. Infrared spectra show this system to be composed of pi and sigma complexes. At Vg = 0, the pi complex dominates the sigma complex, whereas the sigma complex becomes dominant when Vg is switched on. Calculations found that the pi complex has lower conductivity than the sigma complex.

First measurements of J/{psi} decays into {sigma}{sup +}{sigma}{sup -} and {xi}{sup 0}{xi}{sup 0}

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ablikim, M.; Bai, J. Z.; Bai, Y.

Based on 58x10{sup 6} J/{psi} events collected with the BESII detector at the Beijing Electron-Positron Collider, the baryon pair processes J/{psi}{yields}{sigma}{sup +}{sigma}{sup -} and J/{psi}{yields}{xi}{sup 0}{xi}{sup 0} are observed for the first time. The branching fractions are measured to be B(J/{psi}{yields}{sigma}{sup +}{sigma}{sup -})=(1.50{+-}0.10{+-}0.22)x10{sup -3} and B(J/{psi}{yields}{xi}{sup 0}{xi}{sup 0})=(1.20{+-}0.12{+-}0.21)x10{sup -3}, where the first errors are statistical and the second ones are systematic.

Sigma meson in vacuum and nuclear matter

NASA Astrophysics Data System (ADS)

Menchaca-Maciel, M. C.; Morones-Ibarra, J. R.

2013-04-01

We have obtained the value of the interaction constant g σππ that adjusts the values obtained in the E791 Collaboration at Fermilab and BES Collaboration at the Beijing Electron Positron Collider experiments. To get this we have used the concept of critical width to make compatible the parameters obtained from the Breit-Wigner formula and those obtained from the density function. Also, the total width and effective mass modification of the sigma meson in nuclear matter has been studied in the Walecka model, assuming that the sigma couples to a pair of nucleon-antinucleon states and to particle-hole states, including the in-medium effect of sigma-omega mixing. We have considered, for completeness, the coupling of sigma to two virtual pions. We have found that the sigma meson mass decreases with respect to its value in vacuum and that the contribution of the sigma-omega mixing effect on the mass shift is relevant.

Baryon masses and σ terms in SU(3) BChPT×1/N c

DOE PAGES

Fernando, Ishara P.; Alarcon-Soriano, Jose-Manuel; Goity, Jose Luis

2018-04-27

Baryon masses and nucleonmore » $$\\sigma$$ terms are studied with the effective theory that combines the chiral and $$1/N_c$$ expansions for three flavors. In particular the connection between the deviation of the Gell-Mann-Okubo relation and the $$\\sigma$$ term associated with the scalar density $$\\bar u u+\\bar d d-2\\bar s s$$ is emphasized. The latter is at lowest order related to a mass combination whose low value has given rise to a $$\\sigma$$ term puzzle. It is shown that while the nucleon $$\\sigma$$ terms have a well behaved low energy expansion, that mass combination is affected by large higher order corrections non-analytic in quark masses. Lastly, adding to the analysis lattice QCD baryon masses, it is found that $$\\sigma_{\\pi N}=69(10)$$~MeV and $$\\sigma_s$$ has natural magnitude within its relative large uncertainty.« less

The sigma-1 receptor modulates NMDA receptor synaptic transmission and plasticity via SK channels in rat hippocampus.

PubMed

Martina, Marzia; Turcotte, Marie-Eve B; Halman, Samantha; Bergeron, Richard

2007-01-01

The sigma receptor (sigmaR), once considered a subtype of the opioid receptor, is now described as a distinct pharmacological entity. Modulation of N-methyl-D-aspartate receptor (NMDAR) functions by sigmaR-1 ligands is well documented; however, its mechanism is not fully understood. Using patch-clamp whole-cell recordings in CA1 pyramidal cells of rat hippocampus and (+)pentazocine, a high-affinity sigmaR-1 agonist, we found that sigmaR-1 activation potentiates NMDAR responses and long-term potentiation (LTP) by preventing a small conductance Ca2+-activated K+ current (SK channels), known to shunt NMDAR responses, to open. Therefore, the block of SK channels and the resulting increased Ca2+ influx through the NMDAR enhances NMDAR responses and LTP. These results emphasize the importance of the sigmaR-1 as postsynaptic regulator of synaptic transmission.

Regions of attraction and ultimate boundedness for linear quadratic regulators with nonlinearities

NASA Technical Reports Server (NTRS)

Joshi, S. M.

1984-01-01

The closed-loop stability of multivariable linear time-invariant systems controlled by optimal linear quadratic (LQ) regulators is investigated for the case when the feedback loops have nonlinearities N(sigma) that violate the standard stability condition, sigma N(sigma) or = 0.5 sigma(2). The violations of the condition are assumed to occur either (1) for values of sigma away from the origin (sigma = 0) or (2) for values of sigma in a neighborhood of the origin. It is proved that there exists a region of attraction for case (1) and a region of ultimate boundedness for case (2), and estimates are obtained for these regions. The results provide methods for selecting the performance function parameters to design LQ regulators with better tolerance to nonlinearities. The results are demonstrated by application to the problem of attitude and vibration control of a large, flexible space antenna in the presence of actuator nonlinearities.

Baryon masses and σ terms in SU(3) BChPT×1/N c

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fernando, Ishara P.; Alarcon-Soriano, Jose-Manuel; Goity, Jose Luis

Baryon masses and nucleonmore » $$\\sigma$$ terms are studied with the effective theory that combines the chiral and $$1/N_c$$ expansions for three flavors. In particular the connection between the deviation of the Gell-Mann-Okubo relation and the $$\\sigma$$ term associated with the scalar density $$\\bar u u+\\bar d d-2\\bar s s$$ is emphasized. The latter is at lowest order related to a mass combination whose low value has given rise to a $$\\sigma$$ term puzzle. It is shown that while the nucleon $$\\sigma$$ terms have a well behaved low energy expansion, that mass combination is affected by large higher order corrections non-analytic in quark masses. Lastly, adding to the analysis lattice QCD baryon masses, it is found that $$\\sigma_{\\pi N}=69(10)$$~MeV and $$\\sigma_s$$ has natural magnitude within its relative large uncertainty.« less

Relative intensity calculations for nitrous oxide.

NASA Technical Reports Server (NTRS)

Young, L. D. G.

1972-01-01

A tabulation of calculated rotational line intensities, relative to the integrated intensity of a vibration-rotation band, is given for Sigma-Sigma, Pi-Sigma, Sigma-Pi, Pi-Pi, and Delta-Pi transitions of nitrous oxide. These calculations were made for temperatures of 250 K and 300 K. A summary of band-intensity measurements is also presented.

77 FR 1491 - Sigma Corporation; Analysis of Proposed Consent Order To Aid Public Comment

Federal Register 2010, 2011, 2012, 2013, 2014

2012-01-10

... FEDERAL TRADE COMMISSION [File No. 101 0080] Sigma Corporation; Analysis of Proposed Consent Order... instructions in the Request for Comment part of the SUPPLEMENTARY INFORMATION section below. Write ``Sigma.... Write ``Sigma, File No. 101 0080'' on your comment. Your comment--including your name and your state...

Use of In Vitro Transcription System for Analysis of Corynebacterium glutamicum Promoters Recognized by Two Sigma Factors.

PubMed

Šilar, Radoslav; Holátko, Jiří; Rucká, Lenka; Rapoport, Andrey; Dostálová, Hana; Kadeřábková, Pavla; Nešvera, Jan; Pátek, Miroslav

2016-09-01

Promoter activities in Corynebacterium glutamicum strains with deletions of genes encoding sigma factors of RNA polymerase suggested that transcription from some promoters is controlled by two sigma factors. To prove that different sigma factors are involved in the recognition of selected Corynebacterium glutamicum promoters, in vitro transcription system was applied. It was found that a typical housekeeping promoter Pper interacts with the alternative sigma factor σ(B) in addition to the primary sigma factor σ(A). On the other way round, the σ(B)-dependent promoter of the pqo gene that is expressed mainly in the stationary growth phase was active also with σ(A). Some promoters of genes involved in stress responses (P1clgR, P2dnaK, and P2dnaJ2) were found to be recognized by two stress-responding sigma factors, σ(H) and σ(E). In vitro transcription system thus proved to be a useful direct technique for demonstrating the overlap of different sigma factors in recognition of individual promoters in C. glutamicum.

Reflection coefficients of permeant molecules in human red cell suspensions.

PubMed

Owen, J D; Eyring, E M

1975-08-01

The Staverman reflection coefficient, sigma for several permeant molecules was determined in human red cell suspensions with a Durrum stopped-flow spectrophotometer. This procedure was first used with dog, cat, and beef red cells and with human red cells. The stopped-flow technique used was similar to the rapid-flow method used by those who originally reported sigma measurements in human red cells for molecules which rapidly penetrate the red cell membrane. The sigma values we obtained agreed with those previously reported for most of the slow penetrants, except malonamide, but disagreed with all the sigma values previously reported for the rapid penetrants. We were unable to calculate an "equivalent pore radius" with our sigma data. The advantages of our equipment and our experimental procedure are discussed. Our sigma data suggest that sigma is indirectly proportional to the log of the nonelectrolyte permeability coefficient, omega. Since a similar trend has been previously shown for log omega and molar volume of the permeant molecules, a correlatioo was shown between sigma and molar volume suggesting the membrane acts as a sieve.

On the existence of the optimal order for wavefunction extrapolation in Born-Oppenheimer molecular dynamics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fang, Jun; Wang, Han, E-mail: wang-han@iapcm.ac.cn; CAEP Software Center for High Performance Numerical Simulation, Beijing

2016-06-28

Wavefunction extrapolation greatly reduces the number of self-consistent field (SCF) iterations and thus the overall computational cost of Born-Oppenheimer molecular dynamics (BOMD) that is based on the Kohn–Sham density functional theory. Going against the intuition that the higher order of extrapolation possesses a better accuracy, we demonstrate, from both theoretical and numerical perspectives, that the extrapolation accuracy firstly increases and then decreases with respect to the order, and an optimal extrapolation order in terms of minimal number of SCF iterations always exists. We also prove that the optimal order tends to be larger when using larger MD time steps ormore » more strict SCF convergence criteria. By example BOMD simulations of a solid copper system, we show that the optimal extrapolation order covers a broad range when varying the MD time step or the SCF convergence criterion. Therefore, we suggest the necessity for BOMD simulation packages to open the user interface and to provide more choices on the extrapolation order. Another factor that may influence the extrapolation accuracy is the alignment scheme that eliminates the discontinuity in the wavefunctions with respect to the atomic or cell variables. We prove the equivalence between the two existing schemes, thus the implementation of either of them does not lead to essential difference in the extrapolation accuracy.« less

Direct observation of methyl rotor and vib-rotor states of S0 toluene: a revised torsional barrier due to torsion-vibration coupling.

PubMed

Gascooke, Jason R; Virgo, Edwina A; Lawrance, Warren D

2015-01-14

We report a two dimensional, laser induced fluorescence study of the lowest 345 cm(-1) region of S0 toluene. Methyl rotor levels of 00 up to m = 6 and of 201 up to m = 4 are observed. The rotor levels of 00 and 201 have quite different energy spacings that are well fit by a model that includes strong torsion-vibration coupling between them. The model requires that the rotor barrier height be revised from -4.84 cm(-1) (methyl hydrogens in a staggered conformation) to +1.57 cm(-1) (eclipsed conformation). However, the 3a2″ state lies below the 3a1″ state as expected for a staggered conformation due to energy shifts associated with the torsion-vibration coupling. It is shown that the rotor wave-functions exhibit little localization at the torsional energy minima. The variation in the m = 0 wavefunction probability distribution with torsional angle is shown to be very similar for the previously accepted negative V6 value and the torsion-vibration coupling model as this coupling shifts the phase of the wavefunction by 30° compared with its phase for V6 alone. The presence of a strong Δυ = ± 1 torsion-vibration coupling involving the lowest frequency vibrational mode provides a potential pathway for rapid intramolecular vibrational energy redistribution at higher energies.

Unifying the rotational and permutation symmetry of nuclear spin states: Schur-Weyl duality in molecular physics.

PubMed

Schmiedt, Hanno; Jensen, Per; Schlemmer, Stephan

2016-08-21

In modern physics and chemistry concerned with many-body systems, one of the mainstays is identical-particle-permutation symmetry. In particular, both the intra-molecular dynamics of a single molecule and the inter-molecular dynamics associated, for example, with reactive molecular collisions are strongly affected by selection rules originating in nuclear-permutation symmetry operations being applied to the total internal wavefunctions, including nuclear spin, of the molecules involved. We propose here a general tool to determine coherently the permutation symmetry and the rotational symmetry (associated with the group of arbitrary rotations of the entire molecule in space) of molecular wavefunctions, in particular the nuclear-spin functions. Thus far, these two symmetries were believed to be mutually independent and it has even been argued that under certain circumstances, it is impossible to establish a one-to-one correspondence between them. However, using the Schur-Weyl duality theorem we show that the two types of symmetry are inherently coupled. In addition, we use the ingenious representation-theory technique of Young tableaus to represent the molecular nuclear-spin degrees of freedom in terms of well-defined mathematical objects. This simplifies the symmetry classification of the nuclear wavefunction even for large molecules. Also, the application to reactive collisions is very straightforward and provides a much simplified approach to obtaining selection rules.

Unifying the rotational and permutation symmetry of nuclear spin states: Schur-Weyl duality in molecular physics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per, E-mail: jensen@uni-wuppertal.de

In modern physics and chemistry concerned with many-body systems, one of the mainstays is identical-particle-permutation symmetry. In particular, both the intra-molecular dynamics of a single molecule and the inter-molecular dynamics associated, for example, with reactive molecular collisions are strongly affected by selection rules originating in nuclear-permutation symmetry operations being applied to the total internal wavefunctions, including nuclear spin, of the molecules involved. We propose here a general tool to determine coherently the permutation symmetry and the rotational symmetry (associated with the group of arbitrary rotations of the entire molecule in space) of molecular wavefunctions, in particular the nuclear-spin functions. Thusmore » far, these two symmetries were believed to be mutually independent and it has even been argued that under certain circumstances, it is impossible to establish a one-to-one correspondence between them. However, using the Schur-Weyl duality theorem we show that the two types of symmetry are inherently coupled. In addition, we use the ingenious representation-theory technique of Young tableaus to represent the molecular nuclear-spin degrees of freedom in terms of well-defined mathematical objects. This simplifies the symmetry classification of the nuclear wavefunction even for large molecules. Also, the application to reactive collisions is very straightforward and provides a much simplified approach to obtaining selection rules.« less

Tensor-entanglement-filtering renormalization approach and symmetry-protected topological order

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gu Zhengcheng; Wen Xiaogang

2009-10-15

We study the renormalization group flow of the Lagrangian for statistical and quantum systems by representing their path integral in terms of a tensor network. Using a tensor-entanglement-filtering renormalization approach that removes local entanglement and produces a coarse-grained lattice, we show that the resulting renormalization flow of the tensors in the tensor network has a nice fixed-point structure. The isolated fixed-point tensors T{sub inv} plus the symmetry group G{sub sym} of the tensors (i.e., the symmetry group of the Lagrangian) characterize various phases of the system. Such a characterization can describe both the symmetry breaking phases and topological phases, asmore » illustrated by two-dimensional (2D) statistical Ising model, 2D statistical loop-gas model, and 1+1D quantum spin-1/2 and spin-1 models. In particular, using such a (G{sub sym},T{sub inv}) characterization, we show that the Haldane phase for a spin-1 chain is a phase protected by the time-reversal, parity, and translation symmetries. Thus the Haldane phase is a symmetry-protected topological phase. The (G{sub sym},T{sub inv}) characterization is more general than the characterizations based on the boundary spins and string order parameters. The tensor renormalization approach also allows us to study continuous phase transitions between symmetry breaking phases and/or topological phases. The scaling dimensions and the central charges for the critical points that describe those continuous phase transitions can be calculated from the fixed-point tensors at those critical points.« less

Tadpole renormalization and relativistic corrections in lattice NRQCD

NASA Astrophysics Data System (ADS)

Shakespeare, Norman H.; Trottier, Howard D.

1998-08-01

We make a detailed comparison of two tadpole renormalization schemes in the context of the quarkonium hyperfine splittings in lattice NRQCD. We renormalize improved gauge-field and NRQCD actions using the mean-link u0,L in the Landau gauge, and using the fourth root of the average plaquette u0,P. Simulations are done for the three quarkonium systems cc¯, bc¯, and bb¯. The hyperfine splittings are computed both at leading [O(MQv4)] and at next-to-leading [O(MQv6)] order in the relativistic expansion, where MQ is the renormalized quark mass, and v2 is the mean-squared velocity. Results are obtained at a large number of lattice spacings, in the range of about 0.14-0.38 fm. A number of features emerge, all of which favor tadpole renormalization using u0,L. This includes a much better scaling behavior of the hyperfine splittings in the three quarkonium systems when u0,L is used. We also find that relativistic corrections to the spin splittings are smaller when u0,L is used, particularly for the cc¯ and bc¯ systems. We also see signs of a breakdown in the NRQCD expansion when the bare quark mass falls below about 1 in lattice units. Simulations with u0,L also appear to be better behaved in this context: the bare quark masses turn out to be larger when u0,L is used, compared to when u0,P is used on lattices with comparable spacings. These results also demonstrate the need to go beyond tree-level tadpole improvement for precision simulations.

An exploratory analysis for Lean and Six Sigma implementation in hospitals: Together is better?

PubMed

Lee, Jung Young; McFadden, Kathleen L; Gowen, Charles R

Despite the increasing interest for Lean and Six Sigma implementations in hospitals, there has been little empirical evidence that goes beyond descriptive case studies to address the current status and the effectiveness of the implementations. The aim of this study was to explore existing patterns of Lean and Six Sigma implementation in U.S. hospitals and compare the performance of the different patterns. We collected data from 215 U.S. hospitals via a survey that includes measurement items developed from related literature. Using the cross-sectional data, we conducted a cluster analysis, followed by t tests, chi-square tests, and regression analyses for cluster verification. The cluster analysis identifies two clusters, a Moderate Six Sigma group and a Lean Six Sigma group. Results show that the Lean Six Sigma group outperforms the Moderate Six Sigma group across many performance dimensions: responsiveness capability, patient safety, and possibly cost saving. In addition, the Lean Six Sigma group tends to be composed of larger, private teaching hospitals located in more urban areas, and they employ more resources for quality improvement. Our research contributes to the quality management literature by supporting the possible complementary relationship between Lean and Six Sigma in hospitals. Our study encourages practitioners and managers to pay more attention to Lean implementation. Although Lean seems to be conducted in a limited fashion in many hospitals, it should be expanded and combined with Six Sigma for better results.

Host control of plasmid replication: requirement for the sigma factor sigma 32 in transcription of mini-F replication initiator gene.

PubMed Central

Wada, C; Imai, M; Yura, T

1987-01-01

Replication of F factor or mini-F plasmid is strongly inhibited in the rpoH (htpR) mutants of Escherichia coli deficient in the sigma factor (sigma 32) known to be required for heat shock gene expression. Transcription of the mini-F repE gene encoding a replication initiator protein (E protein) was examined by operon fusion and by direct determination of repE mRNA. The synthesis rate and the level of repE mRNA were found to increase transiently upon temperature upshift (30 degrees C to 42 degrees C) in wild-type cells but to decrease rapidly in the rpoH mutants. Thus sigma 32 appeared to be directly involved in transcription of repE whose product, E protein, in turn activates DNA replication from the mini-F ori2 region. This scheme of host-controlled plasmid replication is further supported by the analysis of transcription in vitro: RNA synthesis can be initiated from the repE promoter by a minor form of RNA polymerase containing sigma 32 but not by the major polymerase containing the normal sigma factor sigma 70. The sigma 32-mediated transcription from the repE promoter is strongly inhibited by the E protein. We conclude that transcription of the mini-F repE gene is mediated by the host transcription factor sigma 32 and is negatively controlled by its own product. Images PMID:2447584

Inverse regulatory coordination of motility and curli-mediated adhesion in Escherichia coli.

PubMed

Pesavento, Christina; Becker, Gisela; Sommerfeldt, Nicole; Possling, Alexandra; Tschowri, Natalia; Mehlis, Anika; Hengge, Regine

2008-09-01

During the transition from post-exponential to stationary phase, Escherichia coli changes from the motile-planktonic to the adhesive-sedentary "lifestyle." We demonstrate this transition to be controlled by mutual inhibition of the FlhDC/motility and sigma(S)/adhesion control cascades at two distinct hierarchical levels. At the top level, motility gene expression and the general stress response are inversely coordinated by sigma(70)/sigma(FliA)/sigma(S) competition for core RNA polymerase and the FlhDC-controlled FliZ protein acting as a sigma(S) inhibitor. At a lower level, the signaling molecule bis-(3'-5')-cyclic-diguanosine monophosphate (c-di-GMP) reduces flagellar activity and stimulates transcription of csgD, which encodes an essential activator of adhesive curli fimbriae expression. This c-di-GMP is antagonistically controlled by sigma(S)-regulated GGDEF proteins (mainly YegE) and YhjH, an EAL protein and c-di-GMP phosphodiesterase under FlhDC/FliA control. The switch from motility-based foraging to the general stress response and curli expression requires sigma(S)-modulated down-regulation of expression of the flagellar regulatory cascade as well as proteolysis of the flagellar master regulator FlhDC. Control of YhjH by FlhDC and of YegE by sigma(S) produces a fine-tuned checkpoint system that "unlocks" curli expression only after down-regulation of flagellar gene expression. In summary, these data reveal the logic and sequence of molecular events underlying the motile-to-adhesive "lifestyle" switch in E. coli.

A Direct Interaction between the Sigma-1 Receptor and the hERG Voltage-gated K+ Channel Revealed by Atomic Force Microscopy and Homogeneous Time-resolved Fluorescence (HTRF®)*

PubMed Central

Balasuriya, Dilshan; D'Sa, Lauren; Talker, Ronel; Dupuis, Elodie; Maurin, Fabrice; Martin, Patrick; Borgese, Franck; Soriani, Olivier; Edwardson, J. Michael

2014-01-01

The sigma-1 receptor is an endoplasmic reticulum chaperone protein, widely expressed in central and peripheral tissues, which can translocate to the plasma membrane and modulate the function of various ion channels. The human ether-à-go-go-related gene encodes hERG, a cardiac voltage-gated K+ channel that is abnormally expressed in many human cancers and is known to interact functionally with the sigma-1 receptor. Our aim was to investigate the nature of the interaction between the sigma-1 receptor and hERG. We show that the two proteins can be co-isolated from a detergent extract of stably transfected HEK-293 cells, consistent with a direct interaction between them. Atomic force microscopy imaging of the isolated protein confirmed the direct binding of the sigma-1 receptor to hERG monomers, dimers, and tetramers. hERG dimers and tetramers became both singly and doubly decorated by sigma-1 receptors; however, hERG monomers were only singly decorated. The distribution of angles between pairs of sigma-1 receptors bound to hERG tetramers had two peaks, at ∼90 and ∼180° in a ratio of ∼2:1, indicating that the sigma-1 receptor interacts with hERG with 4-fold symmetry. Homogeneous time-resolved fluorescence (HTRF®) allowed the detection of the interaction between the sigma-1 receptor and hERG within the plane of the plasma membrane. This interaction was resistant to sigma ligands, but was decreased in response to cholesterol depletion of the membrane. We suggest that the sigma-1 receptor may bind to hERG in the endoplasmic reticulum, aiding its assembly and trafficking to the plasma membrane. PMID:25266722

Application of sigma metrics for the assessment of quality control in clinical chemistry laboratory in Ghana: A pilot study.

PubMed

Afrifa, Justice; Gyekye, Seth A; Owiredu, William K B A; Ephraim, Richard K D; Essien-Baidoo, Samuel; Amoah, Samuel; Simpong, David L; Arthur, Aaron R

2015-01-01

Sigma metrics provide a uniquely defined scale with which we can assess the performance of a laboratory. The objective of this study was to assess the internal quality control (QC) in the clinical chemistry laboratory of the University of Cape Cost Hospital (UCC) using the six sigma metrics application. We used commercial control serum [normal (L1) and pathological (L2)] for validation of quality control. Metabolites (glucose, urea, and creatinine), lipids [triglycerides (TG), total cholesterol, high-density lipoprotein cholesterol (HDL-C)], enzymes [alkaline phosphatase (ALP), alanine aminotransferase (AST)], electrolytes (sodium, potassium, chloride) and total protein were assessed. Between-day imprecision (CVs), inaccuracy (Bias) and sigma values were calculated for each control level. Apart from sodium (2.40%, 3.83%), chloride (2.52% and 2.51%) for both L1 and L2 respectively, and glucose (4.82%), cholesterol (4.86%) for L2, CVs for all other parameters (both L1 and L2) were >5%. Four parameters (HDL-C, urea, creatinine and potassium) achieved sigma levels >1 for both controls. Chloride and sodium achieved sigma levels >1 for L1 but <1 for L2. In contrast, cholesterol, total protein and AST achieved sigma levels <1 for L1 but >1 for L2. Glucose and ALP achieved a sigma level >1 for both control levels whereas TG achieved a sigma level >2 for both control levels. Unsatisfactory sigma levels (<3) where achieved for all parameters using both control levels, this shows instability and low consistency of results. There is the need for detailed assessment of the analytical procedures and the strengthening of the laboratory control systems in order to achieve effective six sigma levels for the laboratory.

Organochlorine contaminant and stable isotope profiles in Arctic fox (Alopex lagopus) from the Alaskan and Canadian Arctic.

PubMed

Hoekstra, P F; Braune, B M; O'Hara, T M; Elkin, B; Solomon, K R; Muir, D C G

2003-01-01

Arctic fox (Alopex lagopus) is a circumpolar species distributed across northern Canada and Alaska. Arctic fox muscle and liver were collected at Barrow, AK, USA (n=18), Holman, NT, Canada (n=20), and Arviat, NU, Canada (n=20) to elucidate the feeding ecology of this species and relate these findings to body residue patterns of organochlorine contaminants (OCs). Stable carbon (delta 13C) and nitrogen (delta 15N) isotope analyses of Arctic fox muscle indicated that trophic position (estimated by delta 15N) is positively correlated with increasing delta 13C values, suggesting that Arctic fox with a predominantly marine-based foraging strategy occupy a higher trophic level than individuals mostly feeding from a terrestrial-based carbon source. At all sites, the rank order for OC groups in muscle was polychlorinated biphenyls (Sigma PCB) > chlordane-related compounds (Sigma CHLOR) > hexachlorocyclohexane (Sigma HCH) > total toxaphene (TOX) > or = chlorobenzenes (Sigma ClBz) > DDT-related isomers (Sigma DDT). In liver, Sigma CHLOR was the most abundant OC group, followed by Sigma PCB > TOX > Sigma HCH > Sigma ClBz > Sigma DDT. The most abundant OC analytes detected from Arctic fox muscle and liver were oxychlordane, PCB-153, and PCB-180. The comparison of delta 15N with OC concentrations indicated that relative trophic position might not accurately predict OC bioaccumulation in Arctic fox. The bioaccumulation pattern of OCs in the Arctic fox is similar to the polar bear. While Sigma PCB concentrations were highly variable, concentrations in the Arctic fox were generally below those associated with the toxicological endpoints for adverse effects on mammalian reproduction. Further research is required to properly elucidate the potential health impacts to this species from exposure to OCs.

Application of sigma metrics for the assessment of quality control in clinical chemistry laboratory in Ghana: A pilot study

PubMed Central

Afrifa, Justice; Gyekye, Seth A.; Owiredu, William K. B. A.; Ephraim, Richard K. D.; Essien-Baidoo, Samuel; Amoah, Samuel; Simpong, David L.; Arthur, Aaron R.

2015-01-01

Background: Sigma metrics provide a uniquely defined scale with which we can assess the performance of a laboratory. The objective of this study was to assess the internal quality control (QC) in the clinical chemistry laboratory of the University of Cape Cost Hospital (UCC) using the six sigma metrics application. Materials and Methods: We used commercial control serum [normal (L1) and pathological (L2)] for validation of quality control. Metabolites (glucose, urea, and creatinine), lipids [triglycerides (TG), total cholesterol, high-density lipoprotein cholesterol (HDL-C)], enzymes [alkaline phosphatase (ALP), alanine aminotransferase (AST)], electrolytes (sodium, potassium, chloride) and total protein were assessed. Between-day imprecision (CVs), inaccuracy (Bias) and sigma values were calculated for each control level. Results: Apart from sodium (2.40%, 3.83%), chloride (2.52% and 2.51%) for both L1 and L2 respectively, and glucose (4.82%), cholesterol (4.86%) for L2, CVs for all other parameters (both L1 and L2) were >5%. Four parameters (HDL-C, urea, creatinine and potassium) achieved sigma levels >1 for both controls. Chloride and sodium achieved sigma levels >1 for L1 but <1 for L2. In contrast, cholesterol, total protein and AST achieved sigma levels <1 for L1 but >1 for L2. Glucose and ALP achieved a sigma level >1 for both control levels whereas TG achieved a sigma level >2 for both control levels. Conclusion: Unsatisfactory sigma levels (<3) where achieved for all parameters using both control levels, this shows instability and low consistency of results. There is the need for detailed assessment of the analytical procedures and the strengthening of the laboratory control systems in order to achieve effective six sigma levels for the laboratory. PMID:25657495

Interaction of sigma factor sigmaN with Escherichia coli RNA polymerase core enzyme.

PubMed

Scott, D J; Ferguson, A L; Gallegos, M T; Pitt, M; Buck, M; Hoggett, J G

2000-12-01

The equilibrium binding and kinetics of assembly of the DNA-dependent RNA polymerase (RNAP) sigma(N)-holoenzyme has been investigated using biosynthetically labelled 7-azatryptophyl- (7AW)sigma(N). The spectroscopic properties of such 7AW proteins allows their absorbance and fluorescence to be monitored selectively, even in the presence of high concentrations of other tryptophan-containing proteins. The 7AWsigma(N) retained its biological activity in stimulating transcription from sigma(N)-specific promoters, and in in vitro gel electrophoresis assays of binding to core RNAP from Escherichia coli. Furthermore, five Trp-->Ala single mutants of sigma(N) were shown to support growth under conditions of nitrogen limitation, and showed comparable efficiency in activating the sigma(N)-dependent nifH promoter in vivo, indicating that none of the tryptophan residues were essential for activity. The equilibrium binding of 7AWsigma(N) to core RNAP was examined by analytical ultracentrifugation. In sedimentation equilibrium experiments, absorbance data at 315 nm (which reports selectively on the distribution of free and bound 7AWsigma(N)) established that a 1:1 complex was formed, with a dissociation constant lower than 2 microM. The kinetics of the interaction between 7AWsigma(N) and core RNAP was investigated using stopped-flow spectrofluorimetry. A biphasic decrease in fluorescence intensity was observed when samples were excited at 280 nm, whereas only the slower of the two phases was observed at 315 nm. The kinetic data were analysed in terms of a mechanism in which a fast bimolecular association of sigma(N) with core RNAP is followed by a relatively slow isomerization step. The consequences of these findings on the competition between sigma(N) and the major sigma factor, sigma(70), in Escherichia coli are discussed.

Interaction of sigma factor sigmaN with Escherichia coli RNA polymerase core enzyme.

PubMed Central

Scott, D J; Ferguson, A L; Gallegos, M T; Pitt, M; Buck, M; Hoggett, J G

2000-01-01

The equilibrium binding and kinetics of assembly of the DNA-dependent RNA polymerase (RNAP) sigma(N)-holoenzyme has been investigated using biosynthetically labelled 7-azatryptophyl- (7AW)sigma(N). The spectroscopic properties of such 7AW proteins allows their absorbance and fluorescence to be monitored selectively, even in the presence of high concentrations of other tryptophan-containing proteins. The 7AWsigma(N) retained its biological activity in stimulating transcription from sigma(N)-specific promoters, and in in vitro gel electrophoresis assays of binding to core RNAP from Escherichia coli. Furthermore, five Trp-->Ala single mutants of sigma(N) were shown to support growth under conditions of nitrogen limitation, and showed comparable efficiency in activating the sigma(N)-dependent nifH promoter in vivo, indicating that none of the tryptophan residues were essential for activity. The equilibrium binding of 7AWsigma(N) to core RNAP was examined by analytical ultracentrifugation. In sedimentation equilibrium experiments, absorbance data at 315 nm (which reports selectively on the distribution of free and bound 7AWsigma(N)) established that a 1:1 complex was formed, with a dissociation constant lower than 2 microM. The kinetics of the interaction between 7AWsigma(N) and core RNAP was investigated using stopped-flow spectrofluorimetry. A biphasic decrease in fluorescence intensity was observed when samples were excited at 280 nm, whereas only the slower of the two phases was observed at 315 nm. The kinetic data were analysed in terms of a mechanism in which a fast bimolecular association of sigma(N) with core RNAP is followed by a relatively slow isomerization step. The consequences of these findings on the competition between sigma(N) and the major sigma factor, sigma(70), in Escherichia coli are discussed. PMID:11085949

High occupancy of sigma-1 receptors in the human brain after single oral administration of fluvoxamine: a positron emission tomography study using [11C]SA4503.

PubMed

Ishikawa, Masatomo; Ishiwata, Kiichi; Ishii, Kenji; Kimura, Yuichi; Sakata, Muneyuki; Naganawa, Mika; Oda, Keiichi; Miyatake, Ryousuke; Fujisaki, Mihisa; Shimizu, Eiji; Shirayama, Yukihiko; Iyo, Masaomi; Hashimoto, Kenji

2007-10-15

Sigma-1 receptors might be implicated in the pathophysiology of psychiatric diseases, as well as in the mechanisms of action of some selective serotonin reuptake inhibitors (SSRIs). Among the several SSRIs, fluvoxamine has the highest affinity for sigma-1 receptors (Ki = 36 nM), whereas paroxetine shows low affinity (Ki = 1893 nM). The present study was undertaken to examine whether fluvoxamine binds to sigma-1 receptors in living human brain. A dynamic positron emission tomography (PET) data acquisition using the selective sigma-1 receptor ligand [(11)C]SA4503 was performed with arterial blood sampling to evaluate quantitatively the binding of [(11)C]SA4503 to sigma-1 receptors in 15 healthy male volunteers. Each subject had two PET scans before and after randomly receiving a single dose of either fluvoxamine (50, 100, 150, or 200 mg) or paroxetine (20 mg). The binding potential of [(11)C]SA4503 in 9 regions of the brain was calculated by a 2-tissue 3-compartment model. In addition, we examined the effects of functional polymorphisms of the sigma-1 receptor (SIGMAR1) gene on the binding potential of [(11)C]SA4503. Fluvoxamine bound to sigma-1 receptors in all brain regions in a dose-dependent manner, whereas paroxetine did not bind to sigma-1 receptors. However, there was no association between the SIGMAR1 gene polymorphism GC-241-240TT and binding potential. The study demonstrated that fluvoxamine bound to sigma-1 receptors in living human brain at therapeutic doses. These findings suggest that sigma-1 receptors may play an important role in the mechanism of action of fluvoxamine.

Differential mechanisms of binding of anti-sigma factors Escherichia coli Rsd and bacteriophage T4 AsiA to E. coli RNA polymerase lead to diverse physiological consequences.

PubMed

Sharma, Umender K; Chatterji, Dipankar

2008-05-01

Anti-sigma factors Escherichia coli Rsd and bacteriophage T4 AsiA bind to the essential housekeeping sigma factor, sigma(70), of E. coli. Though both factors are known to interact with the C-terminal region of sigma(70), the physiological consequences of these interactions are very different. This study was undertaken for the purpose of deciphering the mechanisms by which E. coli Rsd and bacteriophage T4 AsiA inhibit or modulate the activity of E. coli RNA polymerase, which leads to the inhibition of E. coli cell growth to different amounts. It was found that AsiA is the more potent inhibitor of in vivo transcription and thus causes higher inhibition of E. coli cell growth. Measurements of affinity constants by surface plasmon resonance experiments showed that Rsd and AsiA bind to sigma(70) with similar affinity. Data obtained from in vivo and in vitro binding experiments clearly demonstrated that the major difference between AsiA and Rsd is the ability of AsiA to form a stable ternary complex with RNA polymerase. The binding patterns of AsiA and Rsd with sigma(70) studied by using the yeast two-hybrid system revealed that region 4 of sigma(70) is involved in binding to both of these anti-sigma factors; however, Rsd interacts with other regions of sigma(70) as well. Taken together, these results suggest that the higher inhibition of E. coli growth by AsiA expression is probably due to the ability of the AsiA protein to trap the holoenzyme RNA polymerase rather than its higher binding affinity to sigma(70).

Guiding inpatient quality improvement: a systematic review of Lean and Six Sigma.

PubMed

Glasgow, Justin M; Scott-Caziewell, Jill R; Kaboli, Peter J

2010-12-01

Two popular quality improvement (QI) approaches in health care are Lean and Six Sigma. Hospitals continue to adopt these QI approaches-or the hybrid Lean Sigma approach-with little knowledge on how well they produce sustainable improvements. A systematic literature review was conducted to determine whether Lean, Six Sigma, or Lean Sigma have been effectively used to create and sustain improvements in the acute care setting. Databases were searched for articles published in the health care, business, and engineering literatures. Study inclusion criteria required identification of a Six Sigma, Lean, or Lean Sigma project; QI efforts focused on hospitalized patients; descriptions of project improvements; and reported results. Depending on the quality of data reported, articles were classified as summary reports, pre-post observational studies, or time-series reports. Database searches identified 539 potential articles. After review of titles, abstracts, and full text, 47 articles met inclusion criteria--10 articles summarized multiple projects, 12 reported Lean projects, 20 reported Six Sigma projects, and 5 reported Lean Sigma projects. Generally, the studies provided limited data, with only 15 articles providing any sort of follow-up data; of the 15, only 3 report a follow-up period greater than two years. Lean, Six Sigma, and Lean Sigma as QI approaches can aid institutions in tackling a wide variety of problems encountered in acute care. However, the true impact of these approaches is difficult to judge, given that the lack of rigorous evaluation or clearly sustained improvements provides little evidence supporting broad adoption. There is still a need for future work that will improve the evidence base for understanding more about QI approaches and how to achieve sustainable improvement.

Looking for a precursor of spontaneous Sleep Slow Oscillations in human sleep: The role of the sigma activity

PubMed Central

Allegrini, Paolo; Bedini, Remo; Bergamasco, Massimo; Laurino, Marco; Sebastiani, Laura; Gemignani, Angelo

2016-01-01

Sleep Slow Oscillations (SSOs), paradigmatic EEG markers of cortical bistability (alternation between cellular downstates and upstates), and sleep spindles, paradigmatic EEG markers of thalamic rhythm, are two hallmarks of sleeping brain. Selective thalamic lesions are reportedly associated to reductions of spindle activity and its spectrum ~14 Hz (sigma), and to alterations of SSO features. This apparent, parallel behavior suggests that thalamo-cortical entrainment favors cortical bistability. Here we investigate temporally-causal associations between thalamic sigma activity and shape, topology, and dynamics of SSOs. We recorded sleep EEG and studied whether spatio-temporal variability of SSO amplitude, negative slope (synchronization in downstate falling) and detection rate are driven by cortical-sigma-activity expression (12–18 Hz), in 3 consecutive 1 s-EEG-epochs preceding each SSO event (Baselines). We analyzed: (i) spatial variability, comparing maps of baseline sigma power and of SSO features, averaged over the first sleep cycle; (ii) event-by-event shape variability, computing for each electrode correlations between baseline sigma power and amplitude/slope of related SSOs; (iii) event-by-event spreading variability, comparing baseline sigma power in electrodes showing an SSO event with the homologous ones, spared by the event. The scalp distribution of baseline sigma power mirrored those of SSO amplitude and slope; event-by-event variability in baseline sigma power was associated with that in SSO amplitude in fronto-central areas; within each SSO event, electrodes involved in cortical bistability presented higher baseline sigma activity than those free of SSO. In conclusion, spatio-temporal variability of thalamocortical entrainment, measured by background sigma activity, is a reliable estimate of the cortical proneness to bistability. PMID:26003553

sigmaR, an RNA polymerase sigma factor that modulates expression of the thioredoxin system in response to oxidative stress in Streptomyces coelicolor A3(2).

PubMed Central

Paget, M S; Kang, J G; Roe, J H; Buttner, M J

1998-01-01

We have identified an RNA polymerase sigma factor, sigmaR, that is part of a system that senses and responds to thiol oxidation in the Gram-positive, antibiotic-producing bacterium Streptomyces coelicolor A3(2). Deletion of the gene (sigR) encoding sigmaR caused sensitivity to the thiol-specific oxidant diamide and to the redox cycling compounds menadione and plumbagin. This correlated with reduced levels of disulfide reductase activity and an inability to induce this activity on exposure to diamide. The trxBA operon, encoding thioredoxin reductase and thioredoxin, was found to be under the direct control of sigmaR. trxBA is transcribed from two promoters, trxBp1 and trxBp2, separated by 5-6 bp. trxBp1 is transiently induced at least 50-fold in response to diamide treatment in a sigR-dependent manner. Purified sigmaR directed transcription from trxBp1 in vitro, indicating that trxBp1 is a target for sigmaR. Transcription of sigR itself initiates at two promoters, sigRp1 and sigRp2, which are separated by 173 bp. The sigRp2 transcript was undetectable in a sigR-null mutant, and purified sigmaR could direct transcription from sigRp2 in vitro, indicating that sigR is positively autoregulated. Transcription from sigRp2 was also transiently induced (70-fold) following treatment with diamide. We propose a model in which sigmaR induces expression of the thioredoxin system in response to cytoplasmic disulfide bond formation. Upon reestablishment of normal thiol levels, sigmaR activity is switched off, resulting in down-regulation of trxBA and sigR. We present evidence that the sigmaR system also functions in the actinomycete pathogen Mycobacterium tuberculosis. PMID:9755177

sigmaR, an RNA polymerase sigma factor that modulates expression of the thioredoxin system in response to oxidative stress in Streptomyces coelicolor A3(2).

PubMed

Paget, M S; Kang, J G; Roe, J H; Buttner, M J

1998-10-01

We have identified an RNA polymerase sigma factor, sigmaR, that is part of a system that senses and responds to thiol oxidation in the Gram-positive, antibiotic-producing bacterium Streptomyces coelicolor A3(2). Deletion of the gene (sigR) encoding sigmaR caused sensitivity to the thiol-specific oxidant diamide and to the redox cycling compounds menadione and plumbagin. This correlated with reduced levels of disulfide reductase activity and an inability to induce this activity on exposure to diamide. The trxBA operon, encoding thioredoxin reductase and thioredoxin, was found to be under the direct control of sigmaR. trxBA is transcribed from two promoters, trxBp1 and trxBp2, separated by 5-6 bp. trxBp1 is transiently induced at least 50-fold in response to diamide treatment in a sigR-dependent manner. Purified sigmaR directed transcription from trxBp1 in vitro, indicating that trxBp1 is a target for sigmaR. Transcription of sigR itself initiates at two promoters, sigRp1 and sigRp2, which are separated by 173 bp. The sigRp2 transcript was undetectable in a sigR-null mutant, and purified sigmaR could direct transcription from sigRp2 in vitro, indicating that sigR is positively autoregulated. Transcription from sigRp2 was also transiently induced (70-fold) following treatment with diamide. We propose a model in which sigmaR induces expression of the thioredoxin system in response to cytoplasmic disulfide bond formation. Upon reestablishment of normal thiol levels, sigmaR activity is switched off, resulting in down-regulation of trxBA and sigR. We present evidence that the sigmaR system also functions in the actinomycete pathogen Mycobacterium tuberculosis.

Identification of carbohydrate-binding domains in the attachment proteins of type 1 and type 3 reoviruses.

PubMed

Chappell, J D; Duong, J L; Wright, B W; Dermody, T S

2000-09-01

The reovirus attachment protein, sigma1, is responsible for strain-specific patterns of viral tropism in the murine central nervous system and receptor binding on cultured cells. The sigma1 protein consists of a fibrous tail domain proximal to the virion surface and a virion-distal globular head domain. To better understand mechanisms of reovirus attachment to cells, we conducted studies to identify the region of sigma1 that binds cell surface carbohydrate. Chimeric and truncated sigma1 proteins derived from prototype reovirus strains type 1 Lang (T1L) and type 3 Dearing (T3D) were expressed in insect cells by using a baculovirus vector. Assessment of expressed protein susceptibility to proteolytic cleavage, binding to anti-sigma1 antibodies, and oligomerization indicates that the chimeric and truncated sigma1 proteins are properly folded. To assess carbohydrate binding, recombinant sigma1 proteins were tested for the capacity to agglutinate mammalian erythrocytes and to bind sialic acid presented on glycophorin, the cell surface molecule bound by type 3 reovirus on human erythrocytes. Using a panel of two wild-type and ten chimeric and truncated sigma1 proteins, the sialic acid-binding domain of type 3 sigma1 was mapped to a region of sequence proposed to form the more amino terminal of two predicted beta-sheet structures in the tail. This unit corresponds to morphologic region T(iii) observed in computer-processed electron micrographs of sigma1 protein purified from virions. In contrast, the homologous region of T1L sigma1 sequence was not implicated in carbohydrate binding; rather, sequences in the distal portion of the tail known as the neck were required. Results of these studies demonstrate that a functional receptor-binding domain, which uses sialic acid as its ligand, is contained within morphologic region T(iii) of the type 3 sigma1 tail. Furthermore, our findings indicate that T1L and T3D sigma1 proteins contain different arrangements of receptor-binding domains.

Multifield Galileons and higher codimension branes

DOE PAGES

Hinterbichler, Kurt; Trodden, Mark; Wesley, Daniel

2010-12-07

We studied a multi-field generalizations of the galileon - a popular idea of how to modify gravity to account for the acceleration of the universe. We derived an extremely restrictive theory of multiple galileon fields, and explored some properties of this theory, including proving a general non-renormalization theorem: multi-field galileons are not renormalized quantum mechanically to any loop in perturbation theory.

Chlorinated hydrocarbon contaminants in polar bears from eastern Russia, North America, Greenland, and Svalbard: Biomonitoring of Arctic pollution

USGS Publications Warehouse

Norstrom, R.J.; Belikov, Stanislav; Born, E.W.; Garner, G.W.; Malone, B.; Olpinski, S.; Ramsay, M.A.; Schliebe, S.; Stirling, I.; Sitshov, M.S.; Taylor, M.K.; Wiig, Øystein

1998-01-01

Adipose tissue samples from polar bears (Ursus maritimus) were obtained by necropsy or biopsy between the spring of 1989 to the spring of 1993 from Wrangel Island in Russia, most of the range of the bear in North America, eastern Greenland, and Svalbard. Samples were divided into 16 regions corresponding as much as possible to known stocks or management zones. Concentrations of dieldrin (DIEL), 4,4'-DDE (DDE), sum of 16 polychlorinated biphenyl congeners (sigma PCB), and sum of 11 chlordane-related compounds and metabolites (sigma CHL) were determined. In order to minimize the effect of age, only data for adults (320 bears age 5 years and older) was used to compare concentrations among regions. Concentrations of sigma PCB were 46% higher in adult males than females, and there was no significant trend with age. Concentrations of sigma CHL were 30% lower in adult males than females. Concentrations of sigma PCB, sigma CHL, and DDE in individual adult female bears were standardized to adult males using factors derived from the least-square means of each sex category, and geometric means of the standardized concentrations on a lipid weight basis were compared among regions. Median geometric mean standardized concentrations (lipid weight basis) and ranges among regions were as follows: sigma PCB, 5,942 (2,763-24,316) micrograms/kg; sigma CHL, 1,952 (727-4,632) micrograms/kg; DDE, 219 (52-560) micrograms/kg; DIEL, 157 (31-335) micrograms/kg. Geometric mean sigma PCB concentrations in bears from Svalbard, East Greenland, and the Arctic Ocean near Prince Patrick Island in Canada were similar (20,256-24,316 micrograms/kg) and significantly higher than most other areas. Atmospheric, oceanic, and ice transport, as well as ecological factors may contribute to these high concentrations of sigma PCB. sigma CHL was more uniformly distributed among regions than the other CHCs. Highest sigma CHL concentrations were found in southeastern Hudson Bay, which also had the highest DDE and DIEL concentrations. In general, concentrations of sigma CHL, DDE, and DIEL were higher in eastern than western regions, suggesting an influence of North American sources. Average sigma PCB concentrations in bears from the Canadian Arctic were similar to those in 1982-84, while average sigma CHL and DDE concentrations were 35-44% lower and DIEL was 90% lower. However, the significance of these temporal trends during the 1980s is not conclusive because of the problems of comparability of data.

Renormalization of generalized scalar Duffin-Kemmer-Petiau electrodynamics

NASA Astrophysics Data System (ADS)

Bufalo, R.; Cardoso, T. R.; Nogueira, A. A.; Pimentel, B. M.

2018-05-01

We establish the multiplicative renormalization procedure of generalized scalar Duffin-Kemmer-Petiau electrodynamics (GSDKP4 ) in the mass shell. We show an explicit calculation of the first radiative corrections (one-loop) associated with the photon propagator, meson propagator, vertex function, and photon-photon four-point function utilizing the dimensional regularization method, where the gauge symmetry is manifest. As we will see, one of the consequences of the study is that, from the complete photon propagator renormalization condition, imposing that it behaves as a massless field, an energy range where GSDKP4 is well defined is m2≪k2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Abolhasani, Ali Akbar; School of Physics, Institute for Research in Fundamental Sciences; Mirbabayi, Mehrdad

A perturbative description of Large Scale Structure is a cornerstone of our understanding of the observed distribution of matter in the universe. Renormalization is an essential and defining step to make this description physical and predictive. Here we introduce a systematic renormalization procedure, which neatly associates counterterms to the UV-sensitive diagrams order by order, as it is commonly done in quantum field theory. As a concrete example, we renormalize the one-loop power spectrum and bispectrum of both density and velocity. In addition, we present a series of results that are valid to all orders in perturbation theory. First, we showmore » that while systematic renormalization requires temporally non-local counterterms, in practice one can use an equivalent basis made of local operators. We give an explicit prescription to generate all counterterms allowed by the symmetries. Second, we present a formal proof of the well-known general argument that the contribution of short distance perturbations to large scale density contrast δ and momentum density π(k) scale as k{sup 2} and k, respectively. Third, we demonstrate that the common practice of introducing counterterms only in the Euler equation when one is interested in correlators of δ is indeed valid to all orders.« less

Computing eigenfunctions and eigenvalues of boundary-value problems with the orthogonal spectral renormalization method

NASA Astrophysics Data System (ADS)

Cartarius, Holger; Musslimani, Ziad H.; Schwarz, Lukas; Wunner, Günter

2018-03-01

The spectral renormalization method was introduced in 2005 as an effective way to compute ground states of nonlinear Schrödinger and Gross-Pitaevskii type equations. In this paper, we introduce an orthogonal spectral renormalization (OSR) method to compute ground and excited states (and their respective eigenvalues) of linear and nonlinear eigenvalue problems. The implementation of the algorithm follows four simple steps: (i) reformulate the underlying eigenvalue problem as a fixed-point equation, (ii) introduce a renormalization factor that controls the convergence properties of the iteration, (iii) perform a Gram-Schmidt orthogonalization process in order to prevent the iteration from converging to an unwanted mode, and (iv) compute the solution sought using a fixed-point iteration. The advantages of the OSR scheme over other known methods (such as Newton's and self-consistency) are (i) it allows the flexibility to choose large varieties of initial guesses without diverging, (ii) it is easy to implement especially at higher dimensions, and (iii) it can easily handle problems with complex and random potentials. The OSR method is implemented on benchmark Hermitian linear and nonlinear eigenvalue problems as well as linear and nonlinear non-Hermitian PT -symmetric models.

New form of the exact NSVZ β-function: the three-loop verification for terms containing Yukawa couplings

NASA Astrophysics Data System (ADS)

Kazantsev, A. E.; Shakhmanov, V. Yu.; Stepanyantz, K. V.

2018-04-01

We investigate a recently proposed new form of the exact NSVZ β-function, which relates the β-function to the anomalous dimensions of the quantum gauge superfield, of the Faddeev-Popov ghosts, and of the chiral matter superfields. Namely, for the general renormalizable N = 1 supersymmetric gauge theory, regularized by higher covariant derivatives, the sum of all three-loop contributions to the β-function containing the Yukawa couplings is compared with the corresponding two-loop contributions to the anomalous dimensions of the quantum superfields. It is demonstrated that for the considered terms both new and original forms of the NSVZ relation are valid independently of the subtraction scheme if the renormalization group functions are defined in terms of the bare couplings. This result is obtained from the equality relating the loop integrals, which, in turn, follows from the factorization of the integrals for the β-function into integrals of double total derivatives. For the renormalization group functions defined in terms of the renormalized couplings we verify that the NSVZ scheme is obtained with the higher covariant derivative regularization supplemented by the subtraction scheme in which only powers of ln Λ /μ are included into the renormalization constants.

How nonperturbative is the infrared regime of Landau gauge Yang-Mills correlators?

NASA Astrophysics Data System (ADS)

Reinosa, U.; Serreau, J.; Tissier, M.; Wschebor, N.

2017-07-01

We study the Landau gauge correlators of Yang-Mills fields for infrared Euclidean momenta in the context of a massive extension of the Faddeev-Popov Lagrangian which, we argue, underlies a variety of continuum approaches. Standard (perturbative) renormalization group techniques with a specific, infrared-safe renormalization scheme produce so-called decoupling and scaling solutions for the ghost and gluon propagators, which correspond to nontrivial infrared fixed points. The decoupling fixed point is infrared stable and weakly coupled, while the scaling fixed point is unstable and generically strongly coupled except for low dimensions d →2 . Under the assumption that such a scaling fixed point exists beyond one-loop order, we find that the corresponding ghost and gluon scaling exponents are, respectively, 2 αF=2 -d and 2 αG=d at all orders of perturbation theory in the present renormalization scheme. We discuss the relation between the ghost wave function renormalization, the gluon screening mass, the scale of spectral positivity violation, and the gluon mass parameter. We also show that this scaling solution does not realize the standard Becchi-Rouet-Stora-Tyutin symmetry of the Faddeev-Popov Lagrangian. Finally, we discuss our findings in relation to the results of nonperturbative continuum methods.

Power counting and Wilsonian renormalization in nuclear effective field theory

NASA Astrophysics Data System (ADS)

Valderrama, Manuel Pavón

2016-05-01

Effective field theories are the most general tool for the description of low energy phenomena. They are universal and systematic: they can be formulated for any low energy systems we can think of and offer a clear guide on how to calculate predictions with reliable error estimates, a feature that is called power counting. These properties can be easily understood in Wilsonian renormalization, in which effective field theories are the low energy renormalization group evolution of a more fundamental — perhaps unknown or unsolvable — high energy theory. In nuclear physics they provide the possibility of a theoretically sound derivation of nuclear forces without having to solve quantum chromodynamics explicitly. However there is the problem of how to organize calculations within nuclear effective field theory: the traditional knowledge about power counting is perturbative but nuclear physics is not. Yet power counting can be derived in Wilsonian renormalization and there is already a fairly good understanding of how to apply these ideas to non-perturbative phenomena and in particular to nuclear physics. Here we review a few of these ideas, explain power counting in two-nucleon scattering and reactions with external probes and hint at how to extend the present analysis beyond the two-body problem.

Renormalization group analysis of dipolar Heisenberg model on square lattice

NASA Astrophysics Data System (ADS)

Keleş, Ahmet; Zhao, Erhai

2018-06-01

We present a detailed functional renormalization group analysis of spin-1/2 dipolar Heisenberg model on square lattice. This model is similar to the well-known J1-J2 model and describes the pseudospin degrees of freedom of polar molecules confined in deep optical lattice with long-range anisotropic dipole-dipole interactions. Previous study of this model based on tensor network ansatz indicates a paramagnetic ground state for certain dipole tilting angles which can be tuned in experiments to control the exchange couplings. The tensor ansatz formulated on a small cluster unit cell is inadequate to describe the spiral order, and therefore the phase diagram at high azimuthal tilting angles remains undetermined. Here, we obtain the full phase diagram of the model from numerical pseudofermion functional renormalization group calculations. We show that an extended quantum paramagnetic phase is realized between the Néel and stripe/spiral phases. In this region, the spin susceptibility flows smoothly down to the lowest numerical renormalization group scales with no sign of divergence or breakdown of the flow, in sharp contrast to the flow towards the long-range-ordered phases. Our results provide further evidence that the dipolar Heisenberg model is a fertile ground for quantum spin liquids.

A shape dynamical approach to holographic renormalization

NASA Astrophysics Data System (ADS)

Gomes, Henrique; Gryb, Sean; Koslowski, Tim; Mercati, Flavio; Smolin, Lee

2015-01-01

We provide a bottom-up argument to derive some known results from holographic renormalization using the classical bulk-bulk equivalence of General Relativity and Shape Dynamics, a theory with spatial conformal (Weyl) invariance. The purpose of this paper is twofold: (1) to advertise the simple classical mechanism, trading off gauge symmetries, that underlies the bulk-bulk equivalence of General Relativity and Shape Dynamics to readers interested in dualities of the type of AdS/conformal field theory (CFT); and (2) to highlight that this mechanism can be used to explain certain results of holographic renormalization, providing an alternative to the AdS/CFT conjecture for these cases. To make contact with the usual semiclassical AdS/CFT correspondence, we provide, in addition, a heuristic argument that makes it plausible that the classical equivalence between General Relativity and Shape Dynamics turns into a duality between radial evolution in gravity and the renormalization group flow of a CFT. We believe that Shape Dynamics provides a new perspective on gravity by giving conformal structure a primary role within the theory. It is hoped that this work provides the first steps toward understanding what this new perspective may be able to teach us about holographic dualities.

Operational excellence (six sigma) philosophy: Application to software quality assurance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lackner, M.

1997-11-01

This report contains viewgraphs on operational excellence philosophy of six sigma applied to software quality assurance. This report outlines the following: goal of six sigma; six sigma tools; manufacturing vs administrative processes; Software quality assurance document inspections; map software quality assurance requirements document; failure mode effects analysis for requirements document; measuring the right response variables; and questions.

Applying Sigma Metrics to Reduce Outliers.

PubMed

Litten, Joseph

2017-03-01

Sigma metrics can be used to predict assay quality, allowing easy comparison of instrument quality and predicting which tests will require minimal quality control (QC) rules to monitor the performance of the method. A Six Sigma QC program can result in fewer controls and fewer QC failures for methods with a sigma metric of 5 or better. The higher the number of methods with a sigma metric of 5 or better, the lower the costs for reagents, supplies, and control material required to monitor the performance of the methods. Copyright © 2016 Elsevier Inc. All rights reserved.

Cesium frequency standard for lasers at. Sigma. = 1. 06. mu. m

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wallmeroth, K.; Letterer, R.

1990-07-15

High-resolution spectra of the {ital X}{sup 1}{Sigma}{sup +}{sub {ital g}}--{ital A}{sup 1}{Sigma}{sup +}{sub {ital u}} band of molecular cesium at {lambda}=1.06 {mu}m have been measured. An absolute wave-number reference table for lasers emitting at {Sigma} = 1.06 {mu}m has been established. The cesium resonances are calibrated with respect to the well-known molecular-iodine absorption lines at {Sigma} = 0.53 {mu}m. An accuracy of 10{sup {minus}7} has been achieved.

Organochlorine pesticides and polychlorinated biphenyls levels in human milk from Chelem, Yucatán, México.

PubMed

Rodas-Ortíz, Juan Pablo; Ceja-Moreno, Victor; González-Navarrete, R L; Alvarado-Mejía, Jorge; Rodríguez-Hernández, Marissa E; Gold-Bouchot, Gerardo

2008-03-01

Organochlorine pesticides (OCPs) and polychlorinated biphenyls (PCBs) in human milk from Chelem, Yucatan, Mexico were analyzed. Relatively high levels of p,p'-DDE, gamma-chlordane, beta-hexacyclohexane (beta-HCH) and PCB congeners 170, 28, and 44 were found. Concentration profiles by OCP groups followed the next order: SigmaDDTs > SigmaChlordanes > SigmaHCHs > SigmaChlorobenzenes > SigmaDrins. Total OCPs showed a decreasing tendency with number of births (primipara and multipara and age ranks) but these differences were not significant. SigmaDDT levels were lower than in other studies in Mexico, but 36% of the samples exceeded the JMPR-FAO/WHO acceptable daily intake (ADI). About 60.53% of samples exceeded the ADI value for heptachlors.

Dipole moments and transition probabilities of the a 3Sigma(+)g - b 3Sigma(+)u system of molecular hydrogen

NASA Technical Reports Server (NTRS)

Guberman, S.; Dalgarno, A.; Posen, A.; Kwok, T. L.

1986-01-01

Multiconfiguration variational calculations of the electronic wave functions of the a 3Sigma(+)g and b 3Sigma(+)u states of molecular hydrogen are presented, and the electric dipole transition moment between them (of interest in connection with stellar atmospheres and the UV spectrum of the Jovian planets) is obtained. The dipole moment is used to calculate the probabilities of radiative transitions from the discrete vibrational levels of the a 3Sigma(+)g state to the vibrational continuum of the repulsive b 3Sigma(+)u state as functions of the wavelength of the emitted photons. The total transition probabilities and radiative lifetimes of the levels v prime = 0-20 are presented.

Particles, Waves, and the Interpretation of Quantum Mechanics

ERIC Educational Resources Information Center

Christoudouleas, N. D.

1975-01-01

Presents an explanation, without mathematical equations, of the basic principles of quantum mechanics. Includes wave-particle duality, the probability character of the wavefunction, and the uncertainty relations. (MLH)

Poissonian renormalizations, exponentials, and power laws

NASA Astrophysics Data System (ADS)

Eliazar, Iddo

2013-05-01

This paper presents a comprehensive “renormalization study” of Poisson processes governed by exponential and power-law intensities. These Poisson processes are of fundamental importance, as they constitute the very bedrock of the universal extreme-value laws of Gumbel, Fréchet, and Weibull. Applying the method of Poissonian renormalization we analyze the emergence of these Poisson processes, unveil their intrinsic dynamical structures, determine their domains of attraction, and characterize their structural phase transitions. These structural phase transitions are shown to be governed by uniform and harmonic intensities, to have universal domains of attraction, to uniquely display intrinsic invariance, and to be intimately connected to “white noise” and to “1/f noise.” Thus, we establish a Poissonian explanation to the omnipresence of white and 1/f noises.

Two-loop renormalization of quantum gravity simplified

NASA Astrophysics Data System (ADS)

Bern, Zvi; Chi, Huan-Hang; Dixon, Lance; Edison, Alex

2017-02-01

The coefficient of the dimensionally regularized two-loop R3 divergence of (nonsupersymmetric) gravity theories has recently been shown to change when nondynamical three-forms are added to the theory, or when a pseudoscalar is replaced by the antisymmetric two-form field to which it is dual. This phenomenon involves evanescent operators, whose matrix elements vanish in four dimensions, including the Gauss-Bonnet operator which is also connected to the trace anomaly. On the other hand, these effects appear to have no physical consequences for renormalized scattering processes. In particular, the dependence of the two-loop four-graviton scattering amplitude on the renormalization scale is simple. We explain this result for any minimally-coupled massless gravity theory with renormalizable matter interactions by using unitarity cuts in four dimensions and never invoking evanescent operators.

Covariant Derivatives and the Renormalization Group Equation

NASA Astrophysics Data System (ADS)

Dolan, Brian P.

The renormalization group equation for N-point correlation functions can be interpreted in a geometrical manner as an equation for Lie transport of amplitudes in the space of couplings. The vector field generating the diffeomorphism has components given by the β functions of the theory. It is argued that this simple picture requires modification whenever any one of the points at which the amplitude is evaluated becomes close to any other. This modification necessitates the introduction of a connection on the space of couplings and new terms appear in the renormalization group equation involving covariant derivatives of the β function and the curvature associated with the connection. It is shown how the connection is related to the operator product expansion coefficients, but there remains an arbitrariness in its definition.

Density-matrix renormalization group method for the conductance of one-dimensional correlated systems using the Kubo formula

NASA Astrophysics Data System (ADS)

Bischoff, Jan-Moritz; Jeckelmann, Eric

2017-11-01

We improve the density-matrix renormalization group (DMRG) evaluation of the Kubo formula for the zero-temperature linear conductance of one-dimensional correlated systems. The dynamical DMRG is used to compute the linear response of a finite system to an applied ac source-drain voltage; then the low-frequency finite-system response is extrapolated to the thermodynamic limit to obtain the dc conductance of an infinite system. The method is demonstrated on the one-dimensional spinless fermion model at half filling. Our method is able to replicate several predictions of the Luttinger liquid theory such as the renormalization of the conductance in a homogeneous conductor, the universal effects of a single barrier, and the resonant tunneling through a double barrier.

Renormalization group flow of the Higgs potential.

PubMed

Gies, Holger; Sondenheimer, René

2018-03-06

We summarize results for local and global properties of the effective potential for the Higgs boson obtained from the functional renormalization group, which allows one to describe the effective potential as a function of both scalar field amplitude and renormalization group scale. This sheds light onto the limitations of standard estimates which rely on the identification of the two scales and helps in clarifying the origin of a possible property of meta-stability of the Higgs potential. We demonstrate that the inclusion of higher-dimensional operators induced by an underlying theory at a high scale (GUT or Planck scale) can relax the conventional lower bound on the Higgs mass derived from the criterion of absolute stability.This article is part of the Theo Murphy meeting issue 'Higgs cosmology'. © 2018 The Author(s).

E-cigarette Marketing and Older Smokers: Road to Renormalization

PubMed Central

Cataldo, Janine K.; Petersen, Anne Berit; Hunter, Mary; Wang, Julie; Sheon, Nicolas

2015-01-01

Objectives To describe older smokers’ perceptions of risks and use of e-cigarettes, and their responses to marketing and knowledge of, and opinions about, regulation of e-cigarettes. Methods Eight 90-minute focus groups with 8 to 9 participants met in urban and suburban California to discuss topics related to cigarettes and alternative tobacco products. Results Older adults are using e-cigarettes for cessation and as a way to circumvent no-smoking policies; they have false perceptions about the effectiveness and safety of e-cigarettes. They perceive e-cigarette marketing as a way to renormalize smoking. Conclusions To stem the current epidemic of nicotine addiction, the FDA must take immediate action because e-cigarette advertising promotes dual use and may contribute to the renormalization of smoking. PMID:25741681

Renormalization of a tensorial field theory on the homogeneous space SU(2)/U(1)

NASA Astrophysics Data System (ADS)

Lahoche, Vincent; Oriti, Daniele

2017-01-01

We study the renormalization of a general field theory on the homogeneous space (SU(2)/ ≤ft. U(1)\\right){{}× d} with tensorial interaction and gauge invariance under the diagonal action of SU(2). We derive the power counting for arbitrary d. For the case d  =  4, we prove perturbative renormalizability to all orders via multi-scale analysis, study both the renormalized and effective perturbation series, and establish the asymptotic freedom of the model. We also outline a general power counting for the homogeneous space {{≤ft(SO(D)/SO(D-1)\\right)}× d} , of direct interest for quantum gravity models in arbitrary dimension, and point out the obstructions to the direct generalization of our results to these cases.

Nonperturbative renormalization of the axial current in Nf=3 lattice QCD with Wilson fermions and a tree-level improved gauge action

NASA Astrophysics Data System (ADS)

Bulava, John; Della Morte, Michele; Heitger, Jochen; Wittemeier, Christian

2016-06-01

We nonperturbatively determine the renormalization factor of the axial vector current in lattice QCD with Nf=3 flavors of Wilson-clover fermions and the tree-level Symanzik-improved gauge action. The (by now standard) renormalization condition is derived from the massive axial Ward identity, and it is imposed among Schrödinger functional states with large overlap on the lowest lying hadronic state in the pseudoscalar channel, in order to reduce kinematically enhanced cutoff effects. We explore a range of couplings relevant for simulations at lattice spacings of ≈0.09 fm and below. An interpolation formula for ZA(g02) , smoothly connecting the nonperturbative values to the 1-loop expression, is provided together with our final results.

Renormalization group procedure for potential -g/r2

NASA Astrophysics Data System (ADS)

Dawid, S. M.; Gonsior, R.; Kwapisz, J.; Serafin, K.; Tobolski, M.; Głazek, S. D.

2018-02-01

Schrödinger equation with potential - g /r2 exhibits a limit cycle, described in the literature in a broad range of contexts using various regularizations of the singularity at r = 0. Instead, we use the renormalization group transformation based on Gaussian elimination, from the Hamiltonian eigenvalue problem, of high momentum modes above a finite, floating cutoff scale. The procedure identifies a richer structure than the one we found in the literature. Namely, it directly yields an equation that determines the renormalized Hamiltonians as functions of the floating cutoff: solutions to this equation exhibit, in addition to the limit-cycle, also the asymptotic-freedom, triviality, and fixed-point behaviors, the latter in vicinity of infinitely many separate pairs of fixed points in different partial waves for different values of g.

Small-cluster renormalization group in Ising and Blume-Emery-Griffiths models with ferromagnetic, antiferromagnetic, and quenched disordered magnetic interactions

NASA Astrophysics Data System (ADS)

Antenucci, F.; Crisanti, A.; Leuzzi, L.

2014-07-01

The Ising and Blume-Emery-Griffiths (BEG) models' critical behavior is analyzed in two dimensions and three dimensions by means of a renormalization group scheme on small clusters made of a few lattice cells. Different kinds of cells are proposed for both ordered and disordered model cases. In particular, cells preserving a possible antiferromagnetic ordering under renormalization allow for the determination of the Néel critical point and its scaling indices. These also provide more reliable estimates of the Curie fixed point than those obtained using cells preserving only the ferromagnetic ordering. In all studied dimensions, the present procedure does not yield a strong-disorder critical point corresponding to the transition to the spin-glass phase. This limitation is thoroughly analyzed and motivated.

Exploration of quantum phases transition in the XXZ model with Dzyaloshinskii-Moriya interaction using trance distance discord

NASA Astrophysics Data System (ADS)

Zhang, Ren-jie; Xu, Shuai; Shi, Jia-dong; Ma, Wen-chao; Ye, Liu

2015-11-01

In the paper, we researched the quantum phase transition (QPT) in the anisotropic spin XXZ model by exploiting the quantum renormalization group (QRG) method. The innovation point is that we adopt a new approach called trace distance discord to indicate the quantum correlation of the system. QPT after several iterations of renormalization in current system has been observed. Consequently, it opened the possibility of investigation of QPR in the geometric discord territory. While the anisotropy suppresses the correlation due to favoring of the alignment of spins, the DM interaction restores the spoiled correlation via creation of the quantum fluctuations. We also apply quantum renormalization group method to probe the thermodynamic limit of the model and emerging of nonanalytic behavior of the correlation.

Dual fermionic variables and renormalization group approach to junctions of strongly interacting quantum wires

NASA Astrophysics Data System (ADS)

Giuliano, Domenico; Nava, Andrea

2015-09-01

Making a combined use of bosonization and fermionization techniques, we build nonlocal transformations between dual fermion operators, describing junctions of strongly interacting spinful one-dimensional quantum wires. Our approach allows for trading strongly interacting (in the original coordinates) fermionic Hamiltonians for weakly interacting (in the dual coordinates) ones. It enables us to generalize to the strongly interacting regime the fermionic renormalization group approach to weakly interacting junctions. As a result, on one hand, we are able to pertinently complement the information about the phase diagram of the junction obtained within the bosonization approach; on the other hand, we map out the full crossover of the conductance tensors between any two fixed points in the phase diagram connected by a renormalization group trajectory.

Critical behavior of a chiral superfluid in a bipartite square lattice

NASA Astrophysics Data System (ADS)

Okamoto, Junichi; Huang, Wen-Min; Höppner, Robert; Mathey, Ludwig

2018-01-01

We study the critical behavior of Bose-Einstein condensation in the second band of a bipartite optical square lattice in a renormalization group framework at one-loop order. Within our field theoretical representation of the system, we approximate the system as a two-component Bose gas in three dimensions. We demonstrate that the system is in a different universality class than the previously studied condensation in a frustrated triangular lattice due to an additional Umklapp scattering term, which stabilizes the chiral superfluid order at low temperatures. We derive the renormalization group flow of the system and show that this order persists in the low energy limit. Furthermore, the renormalization flow suggests that the phase transition from the thermal phase to the chiral superfluid state is first order.

Enhancement of B(E2) Collectivity in the sdg-Interacting Boson Model

NASA Astrophysics Data System (ADS)

Long, GuiLu; Ji, HuaYing; Zhu, ShengJiang

1999-12-01

It is pointed out that the difficulty in boson models in explaining the large B(E2) experimental data is not due to the lack of collectivity in boson model wavefunction. This long standing problem of reduction in collectivity of wavefunction in boson models can be solved by choosing an appropriate E2 transition operator in the SU(3) limit of the sdg-interacting boson model. The ratio B(E2, L + 2 → L) / B(E2, 2 → 0) can be almost any large number. The project supported by The Science Fund of China Nuclear Industry under grant No. J95AY5021, National Natural Science Foundation of China under grant No. 19775026, Excellent Young University Teachers Fund of National Education Committee of China

Quantum chemical approach for positron annihilation spectra of atoms and molecules beyond plane-wave approximation

NASA Astrophysics Data System (ADS)

Ikabata, Yasuhiro; Aiba, Risa; Iwanade, Toru; Nishizawa, Hiroaki; Wang, Feng; Nakai, Hiromi

2018-05-01

We report theoretical calculations of positron-electron annihilation spectra of noble gas atoms and small molecules using the nuclear orbital plus molecular orbital method. Instead of a nuclear wavefunction, the positronic wavefunction is obtained as the solution of the coupled Hartree-Fock or Kohn-Sham equation for a positron and the electrons. The molecular field is included in the positronic Fock operator, which allows an appropriate treatment of the positron-molecule repulsion. The present treatment succeeds in reproducing the Doppler shift, i.e., full width at half maximum (FWHM) of experimentally measured annihilation (γ-ray) spectra for molecules with a mean absolute error less than 10%. The numerical results indicate that the interpretation of the FWHM in terms of a specific molecular orbital is not appropriate.

Time-invariant PT product and phase locking in PT -symmetric lattice models

NASA Astrophysics Data System (ADS)

Joglekar, Yogesh N.; Onanga, Franck Assogba; Harter, Andrew K.

2018-01-01

Over the past decade, non-Hermitian, PT -symmetric Hamiltonians have been investigated as candidates for both a fundamental, unitary, quantum theory and open systems with a nonunitary time evolution. In this paper, we investigate the implications of the former approach in the context of the latter. Motivated by the invariance of the PT (inner) product under time evolution, we discuss the dynamics of wave-function phases in a wide range of PT -symmetric lattice models. In particular, we numerically show that, starting with a random initial state, a universal, gain-site location dependent locking between wave-function phases at adjacent sites occurs in the PT -symmetry-broken region. Our results pave the way towards understanding the physically observable implications of time invariants in the nonunitary dynamics produced by PT -symmetric Hamiltonians.

Review and New Results of Local Helioseismology

NASA Astrophysics Data System (ADS)

Chou, Dean-Yi

2011-10-01

We briefly review various methods used in local helioseismology, and discuss our recent results on the acoustic waves scattered by sunspots. We use a deconvolution method to obtain the 2-D wavefunction of the scattered wave from the cross correlations between the incident wave and the signal at various points on the surface. The wavefunctions of scattered waves associated with various incident waves could be used to probe the sunspot. The interference fringes between the scattered wave and the incident wave are detected because the coherent time of the incident wave is of the order of wave period. These interference fringes play the same role as a hologram in optics. We demonstrate that these interference fringes (hologram) can be used to reconstruct the 2-D scattered wavefield of the sunspot.

Flavor hierarchy in SO(10) grand unified theories via 5-dimensional wave-function localization

NASA Astrophysics Data System (ADS)

Kitano, Ryuichiro; Li, Tianjun

2003-06-01

A mechanism to generate fermion-mass hierarchy in SO(10) grand unified theories is considered. We find that the lopsided family structure, which is suitable to the large angle Mikheyev-Smirnov-Wolfenstein solution to solar neutrino oscillation, is realized without introducing extra matter fields if the hierarchy originates from the wave-function profile in an extra dimension. Unlike the Froggatt-Nielsen mechanism, the SO(10) breaking effect may directly contribute to the source of the hierarchy, i.e., the bulk mass terms. It naturally explains the difference of the hierarchical patterns between the quark and the lepton sectors. We also find the possibility of horizontal unification, in which three generations of matter fields are unified to a 3-dimensional representation of an SU(2) gauge group.

Matrix elements of the electromagnetic operator between kaon and pion states

DOE Office of Scientific and Technical Information (OSTI.GOV)

Baum, I.; Lubicz, V.; INFN, Sezione di Roma Tre, Via della Vasca Navale 84, I-00146 Roma

2011-10-01

We compute the matrix elements of the electromagnetic operator sF{sub {mu}{nu}}{sigma}{sup {mu}{nu}}d between kaon and pion states, using lattice QCD with maximally twisted-mass fermions and two flavors of dynamical quarks (N{sub f}=2). The operator is renormalized nonperturbatively in the RI'/MOM scheme and our simulations cover pion masses as light as 270 MeV and three values of the lattice spacing from {approx_equal}0.07 up to {approx_equal}0.1 fm. At the physical point our result for the corresponding tensor form factor at zero-momentum transfer is f{sub T}{sup K{pi}}(0)=0.417(14{sub stat})(5{sub syst}), where the systematic error does not include the effect of quenching the strange andmore » charm quarks. Our result differs significantly from the old quenched result f{sub T}{sup K{pi}}(0)=0.78(6) obtained by the SPQ{sub cd}R Collaboration with pion masses above 500 MeV. We investigate the source of this difference and conclude that it is mainly related to the chiral extrapolation. We also study the tensor charge of the pion and obtain the value f{sub T}{sup {pi}{pi}}(0)=0.195(8{sub stat})(6{sub syst}) in good agreement with, but more accurate than the result f{sub T}{sup {pi}{pi}}(0)=0.216(34) obtained by the QCDSF Collaboration using higher pion masses.« less

Importance of proper renormalization scale-setting for QCD testing at colliders

DOE PAGES

Wu, Xing -Gang; Wang, Sheng -Quan; Brodsky, Stanley J.

2015-12-22

A primary problem affecting perturbative quantum chromodynamic (pQCD) analyses is the lack of a method for setting the QCD running-coupling renormalization scale such that maximally precise fixed-order predictions for physical observables are obtained. The Principle of Maximum Conformality (PMC) eliminates the ambiguities associated with the conventional renormalization scale-setting procedure, yielding predictions that are independent of the choice of renormalization scheme. The QCD coupling scales and the effective number of quark flavors are set order-by-order in the pQCD series. The PMC has a solid theoretical foundation, satisfying the standard renormalization group invariance condition and all of the self-consistency conditions derived frommore » the renormalization group. The PMC scales at each order are obtained by shifting the arguments of the strong force coupling constant αs to eliminate all non-conformal {βi} terms in the pQCD series. The {βi} terms are determined from renormalization group equations without ambiguity. The correct behavior of the running coupling at each order and at each phase-space point can then be obtained. The PMC reduces in the N C → 0 Abelian limit to the Gell-Mann-Low method. In this brief report, we summarize the results of our recent application of the PMC to a number of collider processes, emphasizing the generality and applicability of this approach. A discussion of hadronic Z decays shows that, by applying the PMC, one can achieve accurate predictions for the total and separate decay widths at each order without scale ambiguities. We also show that, if one employs the PMC to determine the top-quark pair forward-backward asymmetry at the next-to-next-to-leading order level, one obtains a comprehensive, self-consistent pQCD explanation for the Tevatron measurements of the asymmetry. This accounts for the “increasing-decreasing” behavior observed by the D0 collaboration for increasing tt¯ invariant mass. At lower energies, the angular distributions of heavy quarks can be used to obtain a direct determination of the heavy quark potential. A discussion of the angular distributions of massive quarks and leptons is also presented, including the fermionic component of the two-loop corrections to the electromagnetic form factors. Furthermore, these results demonstrate that the application of the PMC systematically eliminates a major theoretical uncertainty for pQCD predictions, thus increasing collider sensitivity to possible new physics beyond the Standard Model.« less

The sigmaR regulon of Streptomyces coelicolor A32 reveals a key role in protein quality control during disulphide stress.

PubMed

Kallifidas, Dimitris; Thomas, Derek; Doughty, Phillip; Paget, Mark S B

2010-06-01

Diamide is an artificial disulphide-generating electrophile that mimics an oxidative shift in the cellular thiol-disulphide redox state (disulphide stress). The Gram-positive bacterium Streptomyces coelicolor senses and responds to disulphide stress through the sigma(R)-RsrA system, which comprises an extracytoplasmic function (ECF) sigma factor and a redox-active anti-sigma factor. Known targets that aid in the protection and recovery from disulphide stress include the thioredoxin system and genes involved in producing the major thiol buffer mycothiol. Here we determine the global response to diamide in wild-type and sigR mutant backgrounds to understand the role of sigma(R) in this response and to reveal additional regulatory pathways that allow cells to cope with disulphide stress. In addition to thiol oxidation, diamide was found to cause protein misfolding and aggregation, which elicited the induction of the HspR heat-shock regulon. Although this response is sigma(R)-independent, sigma(R) does directly control Clp and Lon ATP-dependent AAA(+) proteases, which may partly explain the reduced ability of a sigR mutant to resolubilize protein aggregates. sigma(R) also controls msrA and msrB methionine sulphoxide reductase genes, implying that sigma(R)-RsrA is responsible for the maintenance of both cysteine and methionine residues during oxidative stress. This work shows that the sigma(R)-RsrA system plays a more significant role in protein quality control than previously realized, and emphasizes the importance of controlling the cellular thiol-disulphide redox balance.

The SigmaR1 chaperone drives breast and colorectal cancer cell migration by tuning SK3-dependent Ca2+ homeostasis.

PubMed

Gueguinou, M; Crottès, D; Chantôme, A; Rapetti-Mauss, R; Potier-Cartereau, M; Clarysse, L; Girault, A; Fourbon, Y; Jézéquel, P; Guérin-Charbonnel, C; Fromont, G; Martin, P; Pellissier, B; Schiappa, R; Chamorey, E; Mignen, O; Uguen, A; Borgese, F; Vandier, C; Soriani, O

2017-06-22

The remodeling of calcium homeostasis contributes to the cancer hallmarks and the molecular mechanisms involved in calcium channel regulation in tumors remain to be characterized. Here, we report that SigmaR1, a stress-activated chaperone, is required to increase calcium influx by triggering the coupling between SK3, a Ca 2+ -activated K + channel (KCNN3) and the voltage-independent calcium channel Orai1. We show that SigmaR1 physically binds SK3 in BC cells. Inhibition of SigmaR1 activity, either by molecular silencing or by the use of sigma ligand (igmesine), decreased SK3 current and Ca 2+ entry in breast cancer (BC) and colorectal cancer (CRC) cells. Interestingly, SigmaR1 inhibition diminished SK3 and/or Orai1 levels in lipid nanodomains isolated from BC cells. Analyses of tissue microarray from CRC patients showed higher SigmaR1 expression levels in cancer samples and a correlation with tumor grade. Moreover, the exploration of a cohort of 4937 BC patients indicated that high expression of SigmaR1 and Orai1 channels was significantly correlated to a lower overall survival. As the SK3/Orai1 tandem drives invasive process in CRC and bone metastasis progression in BC, our results may inaugurate innovative therapeutic approaches targeting SigmaR1 to control the remodeling of Ca 2+ homeostasis in epithelial cancers.

Lean Six Sigma implementation and organizational culture.

PubMed

Knapp, Susan

2015-01-01

The purpose of this paper is to examine the relationship between four organizational cultural types defined by the Competing Values Framework and three Lean Six Sigma implementation components - management involvement, use of Lean Six Sigma methods and Lean Six Sigma infrastructure. The study involved surveying 446 human resource and quality managers from 223 hospitals located in Maine, New Hampshire, Vermont, Massachusetts and Rhode Island using the Organizational Culture Assessment Instrument. Findings - In total, 104 completed responses were received and analyzed using multivariate analysis of variance. Follow-up analysis of variances showed management support was significant, F(3, 100)=4.89, p < 0.01, η2=1.28; infrastructure was not significant, F(3, 100)=1.55, p=0.21, η2=0.05; and using Lean Six Sigma methods was also not significant, F(3, 100)=1.34, p=0.26, η2=0.04. Post hoc analysis identified group and development cultures having significant interactions with management support. The relationship between organizational culture and Lean Six Sigma in hospitals provides information on how specific cultural characteristics impact the Lean Six Sigma initiative key components. This information assists hospital staff who are considering implementing quality initiatives by providing an understanding of what cultural values correspond to effective Lean Six Sigma implementation. Managers understanding the quality initiative cultural underpinnings, are attentive to the culture-shared values and norm's influence can utilize strategies to better implement Lean Six Sigma.

A Framework for Six Sigma Project Selection in Higher Educational Institutions, Using a Weighted Scorecard Approach

ERIC Educational Resources Information Center

Holmes, Monica C.; Jenicke, Lawrence O.; Hempel, Jessica L.

2015-01-01

Purpose: This paper discusses the importance of the Six Sigma selection process, describes a Six Sigma project in a higher educational institution and presents a weighted scorecard approach for project selection. Design/Methodology/Approach: A case study of the Six Sigma approach being used to improve student support at a university computer help…

An Application of Six Sigma to Reduce Supplier Quality Cost

NASA Astrophysics Data System (ADS)

Gaikwad, Lokpriya Mohanrao; Teli, Shivagond Nagappa; Majali, Vijay Shashikant; Bhushi, Umesh Mahadevappa

2016-01-01

This article presents an application of Six Sigma to reduce supplier quality cost in manufacturing industry. Although there is a wider acceptance of Six Sigma in many organizations today, there is still a lack of in-depth case study of Six Sigma. For the present research the case study methodology was used. The company decided to reduce quality cost and improve selected processes using Six Sigma methodologies. Regarding the fact that there is a lack of case studies dealing with Six Sigma especially in individual manufacturing organization this article could be of great importance also for the practitioners. This paper discusses the quality and productivity improvement in a supplier enterprise through a case study. The paper deals with an application of Six Sigma define-measure-analyze-improve-control methodology in an industry which provides a framework to identify, quantify and eliminate sources of variation in an operational process in question, to optimize the operation variables, improve and sustain performance viz. process yield with well-executed control plans. Six Sigma improves the process performance (process yield) of the critical operational process, leading to better utilization of resources, decreases variations and maintains consistent quality of the process output.

Application of Six Sigma towards improving surgical outcomes.

PubMed

Shukla, P J; Barreto, S G; Nadkarni, M S

2008-01-01

Six Sigma is a 'process excellence' tool targeting continuous improvement achieved by providing a methodology for improving key steps of a process. It is ripe for application into health care since almost all health care processes require a near-zero tolerance for mistakes. The aim of this study is to apply the Six Sigma methodology into a clinical surgical process and to assess the improvement (if any) in the outcomes and patient care. The guiding principles of Six Sigma, namely DMAIC (Define, Measure, Analyze, Improve, Control), were used to analyze the impact of double stapling technique (DST) towards improving sphincter preservation rates for rectal cancer. The analysis using the Six Sigma methodology revealed a Sigma score of 2.10 in relation to successful sphincter preservation. This score demonstrates an improvement over the previous technique (73% over previous 54%). This study represents one of the first clinical applications of Six Sigma in the surgical field. By understanding, accepting, and applying the principles of Six Sigma, we have an opportunity to transfer a very successful management philosophy to facilitate the identification of key steps that can improve outcomes and ultimately patient safety and the quality of surgical care provided.

State selected ion--molecule reactions by a TESICO technique. IV. Relative importance of the two spin-orbit states of Ar/sup +/ in the charge transfer reactions with N/sub 2/ and CO

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kato, T.; Tanaka, K.; Koyano, I.

1982-07-01

Charge transfer reactions Ar/sup +/ (/sup 2/P/sub J/)+N/sub 2/..-->..N/sup +//sub 2/+Ar (1) and Ar/sup +/(/sup 2/P/sub J/)+CO..-->..CO/sup +/+Ar (2) have been studied for the two spin-orbit states (J = 3/2 and 1/2) separately using the threshold electron-secondary ion coincidence (TESICO) technique. Relative cross sections for the two states sigma(3/2) and sigma(1/2) have been determined at three collision energies 0.2, 1.4, and 5.8 eV. It has been found that in Reaction (1), sigma(3/2) is larger than sigma (1/2) with ratio sigma(1/2)/sigma(3/2) ranging from 0.5 to 0.8 depending on the collision energy, whereas in Reaction (2), sigma(1/2) is larger than sigma(3/2) withmore » the ratio ranging from 1.2 to 1.6. The implications of these results are discussed with regard to the roles of energy resonance and Franck--Condon factors in charge transfer processes.« less

Observation of Bs production at the Y(5S) resonance.

PubMed

Bonvicini, G; Cinabro, D; Dubrovin, M; Lincoln, A; Bornheim, A; Pappas, S P; Weinstein, A J; Asner, D M; Edwards, K W; Briere, R A; Chen, G P; Chen, J; Ferguson, T; Tatishvili, G; Vogel, H; Watkins, M E; Rosner, J L; Adam, N E; Alexander, J P; Berkelman, K; Cassel, D G; Crede, V; Duboscq, J E; Ecklund, K M; Ehrlich, R; Fields, L; Gibbons, L; Gittelman, B; Gray, R; Gray, S W; Hartill, D L; Heltsley, B K; Hertz, D; Jones, C D; Kandaswamy, J; Kreinick, D L; Kuznetsov, V E; Mahlke-Krüger, H; Meyer, T O; Onyisi, P U E; Patterson, J R; Peterson, D; Phillips, E A; Pivarski, J; Riley, D; Ryd, A; Sadoff, A J; Schwarthoff, H; Shi, X; Shepherd, M R; Stroiney, S; Sun, W M; Urner, D; Wilksen, T; Weaver, K M; Weinberger, M; Athar, S B; Avery, P; Breva-Newell, L; Patel, R; Potlia, V; Stoeck, H; Yelton, J; Rubin, P; Cawlfield, C; Eisenstein, B I; Gollin, G D; Karliner, I; Kim, D; Lowrey, N; Naik, P; Sedlack, C; Selen, M; White, E J; Williams, J; Wiss, J; Besson, D; Pedlar, T K; Cronin-Hennessy, D; Gao, K Y; Gong, D T; Hietala, J; Kubota, Y; Klein, T; Lang, B W; Li, S Z; Poling, R; Scott, A W; Smith, A; Dobbs, S; Metreveli, Z; Seth, K K; Tomaradze, A; Zweber, P; Ernst, J; Arms, K; Severini, H; Dytman, S A; Love, W; Mehrabyan, S; Mueller, J A; Savinov, V; Li, Z; Lopez, A; Mendez, H; Ramirez, J; Huang, G S; Miller, D H; Pavlunin, V; Sanghi, B; Shipsey, I P J; Adams, G S; Anderson, M; Cummings, J P; Danko, I; Napolitano, J; He, Q; Muramatsu, H; Park, C S; Thorndike, E H; Coan, T E; Gao, Y S; Liu, F; Maravin, Y; Artuso, M; Boulahouache, C; Blusk, S; Butt, J; Dorjkhaidav, O; Li, J; Menaa, N; Mountain, R; Nandakumar, R; Randrianarivony, K; Redjimi, R; Sia, R; Skwarnicki, T; Stone, S; Wang, J C; Zhang, K; Csorna, S E

2006-01-20

Using the CLEO detector at the Cornell Electron Storage Ring, we have observed the Bs meson in e+e- annihilation at the Y(5S) resonance. We find 14 candidates consistent with Bs decays into final states with a J/psi or a Ds(*)- . The probability that we have observed a background fluctuation is less than 8 x 10(-10) . We have established that at the energy of the Y(5S) resonance Bs production proceeds predominantly through the creation of Bs*Bs* pairs. We find sigma(e+e- --> Bs*Bs*) = [0.11(-0.03))(+0.04)(stat) +/- 0.02(syst)]nb , and set the following limits: sigma(e+e- --> BsBs)/ sigma(e+ e- --> Bs*Bs*) <0.16 and [sigma(e+e- --> BsBs*) + sigma(e+e- --> Bs*Bs)]/sigma(e+e- -->Bs*Bs*) < 0.16 (90% C.L.). The mass of the Bs* meson is measured to be M(Bs*) = [5.414+/- 0.001(stat) +/- 0.003(syst)] GeV/c2 .

A clinical and radiostereometric study of the cemented PFC-sigma prosthesis: a 5-year study of 29 cases with a fixed bearing.

PubMed

von Schewelov, Thord; Besjakov, Jack; Sanzén, Lennart; Carlsson, Ake

2009-07-01

The press-fit condylar (PFC) cruciate-retaining total knee prosthesis is well documented in the literature. In 1997, a modification of the femoral component was introduced, and the prosthesis was renamed PFC-Sigma. The alteration may influence the migratory and rotational pattern of the tibial component and thus long-time survival rate. In this radiostereometric analysis, we found that the micromotion of the PFC-Sigma prosthesis differs slightly from the original PFC design, an advantage of the PFC-Sigma prosthesis. The median maximum total point motion at 5 years was 0.64 mm for the PFC-Sigma design and 0.79 mm for the previous version of PFC (P = .9). However, the PFC-Sigma rotated less around the transverse (x) axis than did the PFC (medians, 0.22 mm and 0.48 mm, respectively; P = .04). From the radiostereometric, radiographic, and clinical data, we conclude that the PFC-Sigma knee prosthesis can be used with confidence.

A numerical procedure for recovering true scattering coefficients from measurements with wide-beam antennas

NASA Technical Reports Server (NTRS)

Wang, Qinglin; Gogineni, S. P.

1991-01-01

A numerical procedure for estimating the true scattering coefficient, sigma(sup 0), from measurements made using wide-beam antennas. The use of wide-beam antennas results in an inaccurate estimate of sigma(sup 0) if the narrow-beam approximation is used in the retrieval process for sigma(sup 0). To reduce this error, a correction procedure was proposed that estimates the error resulting from the narrow-beam approximation and uses the error to obtain a more accurate estimate of sigma(sup 0). An exponential model was assumed to take into account the variation of sigma(sup 0) with incidence angles, and the model parameters are estimated from measured data. Based on the model and knowledge of the antenna pattern, the procedure calculates the error due to the narrow-beam approximation. The procedure is shown to provide a significant improvement in estimation of sigma(sup 0) obtained with wide-beam antennas. The proposed procedure is also shown insensitive to the assumed sigma(sup 0) model.

Lean sigma--will it work for healthcare?

PubMed

Bahensky, James A; Roe, Janet; Bolton, Romy

2005-01-01

The manufacturing industry has been using Lean Sigma for years in pursuit of continuous improvement to obtain a competitive advantage. The objectives of these efforts are to use the Lean techniques for reducing cycle times and the Six Sigma concepts for reducing product defects. The Iowa Business Council with several advocates worked with the University of Iowa Hospital and Clinics (UIHC) and two other Iowa hospitals to determine whether Lean Sigma is adaptable in healthcare. A team of 15 people at UIHC used the Kaizen Breakthrough Methodology over a five-day period in an aggressive identification and elimination of non-value added activities in Radiology CT scanning. The results exceeded the initial project objectives and indicated that Lean Sigma is applicable in healthcare. Overall, the Lean Sigma project increased revenue by approximately $750,000 per year. The Kaizen process proved to be successful and interesting. Within three days, the team installed new work flow processes. This implementation-oriented approach is what differentiates Lean Sigma from other quality improvement processes.

Induction of a robust immunity response against novel duck reovirus in ducklings using a subunit vaccine of sigma C protein

PubMed Central

Bi, Zhuangli; Zhu, Yingqi; Chen, Zongyan; Li, Chuanfeng; Wang, Yong; Wang, Guijun; Liu, Guangqing

2016-01-01

Novel duck reovirus (NDRV) disease emerged in China in 2011 and continues to cause high morbidity and about 5.0 to 50% mortality in ducklings. Currently there are no approved vaccines for the virus. This study aimed to assess the efficacy of a new vaccine created from the baculovirus and sigma C gene against NDRV. In this study, a recombinant baculovirus containing the sigma C gene was constructed, and the purified protein was used as a vaccine candidate in ducklings. The efficacy of sigma C vaccine was estimated according to humoral immune responses, cellular immune response and protection against NDRV challenge. The results showed that sigma C was highly expressed in Sf9 cells. Robust humoral and cellular immune responses were induced in all ducklings immunized with the recombinant sigma C protein. Moreover, 100% protection against lethal challenge with NDRV TH11 strain was observed. Summary, the recombinant sigma C protein could be utilized as a good candidate against NDRV infection. PMID:27974824

Different intracellular distribution of avian reovirus core protein sigmaA in cells of avian and mammalian origin

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vazquez-Iglesias, Lorena; Lostale-Seijo, Irene; Martinez-Costas, Jose

2012-10-25

A comparative analysis of the intracellular distribution of avian reovirus (ARV) core protein sigmaA in cells of avian and mammalian origin revealed that, whereas the viral protein accumulates in the cytoplasm and nucleolus of avian cells, most sigmaA concentrates in the nucleoplasm of mammalian cells in tight association with the insoluble nuclear matrix fraction. Our results further showed that sigmaA becomes arrested in the nucleoplasm of mammalian cells via association with mammalian cell-specific factors and that this association prevents nucleolar targeting. Inhibition of RNA polymerase II activity, but not of RNA polymerase I activity, in infected mammalian cells induces nucleus-to-cytoplasmmore » sigmaA translocation through a CRM1- and RanGTP-dependent mechanism, yet a heterokaryon assay suggests that sigmaA does not shuttle between the nucleus and cytoplasm. The scarcity of sigmaA in cytoplasmic viral factories of infected mammalian cells could be one of the factors contributing to limited ARV replication in mammalian cells.« less

Kinetics of O{sub 2}({sup 1{Sigma}}) formation in the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}})

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zagidullin, M V; Khvatov, N A; Nyagashkin, A Yu

2011-02-28

The dependence of the ratio of specific powers of dimole radiation of singlet oxygen in the 634 nm band and in the b - X band of the O{sub 2}({sup 1{Sigma}}) molecule in the O{sub 2}(X) - O{sub 2}({sup 1{Delta}}) - O{sub 2}({sup 1{Sigma}}) - H{sub 2}O - CO{sub 2} mixture on the CO{sub 2} concentration is measured. As a result, the rate constant of the reaction O{sub 2}({sup 1{Delta}}) + O{sub 2}({sup 1{Delta}}) {yields} O{sub 2}({sup 1{Sigma}}) + O{sub 2}({sup 3{Sigma}}) at the temperature {approx}330 K is found to equal (4.5 {+-} 1.1) 10{sup -17} cm{sup 3} s{sup -1}.more » (active media)« less

Doublet-spacing enhancement caused by {Lambda}N-{Sigma}N coupling in {sub {Lambda}L}i hypernuclear isotopes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Umeya, Atsushi; Harada, Toru; Research Center for Physics and Mathematics, Osaka Electro-Communication University, Neyagawa, Osaka 572-8530

2011-03-15

We theoretically investigate energy spacings of doublets in {sub {Lambda}L}i hypernuclear isotopes with A=7-10 in shell-model calculations with a {Lambda}N-{Sigma}N coupling effect. The calculated results show that the energy shifts are {Delta}{epsilon}=0.09-0.28 MeV and the {Sigma}-mixing probabilities are P{sub {Sigma}}=0.10%-0.34% in {Lambda} ground states for the isotopes because of the {Lambda}N-{Sigma}N coupling in the first-order perturbation. It is found that the energy spacing of the doublet is enhanced as a neutron number N increases; the contribution of the {Lambda}N-{Sigma}N coupling interaction is comparable to that of the {Lambda}N interaction in the neutron-rich {Lambda} hypernuclei. The coherent mechanism of this doublet-spacingmore » enhancement is also discussed in terms of Fermi-type and Gamow-Teller-type {Lambda}N-{Sigma}N couplings.« less

Conductance scaling of junctions of Luttinger-liquid wires out of equilibrium

NASA Astrophysics Data System (ADS)

Aristov, D. N.; Wölfle, P.

2018-05-01

We develop the renormalization group theory of the conductances of N -lead junctions of spinless Luttinger-liquid wires as functions of bias voltages applied to N independent Fermi-liquid reservoirs. Based on the perturbative results up to second order in the interaction we demonstrate that the conductances obey scaling. The corresponding renormalization group β functions are derived up to second order.

Emergent supersymmetry in the marginal deformations of $$\\mathcal{N}=4$$ SYM

DOE PAGES

Jin, Qingjun

2016-10-24

Here, we study the one loop renormalization group flow of the marginal deformations ofmore » $$\\mathcal{N}=4$$ SYM theory using the a-function. We found that in the planar limit some non-supersymmetric deformations flow to the supersymmetric infrared fixed points described by the Leigh-Strassler theory. This means supersymmetry emerges as a result of renormalization group flow.« less

Representation of Renormalization Group Functions By Nonsingular Integrals in a Model of the Critical Dynamics of Ferromagnets: The Fourth Order of The ɛ-Expansion

NASA Astrophysics Data System (ADS)

Adzhemyan, L. Ts.; Vorob'eva, S. E.; Ivanova, E. V.; Kompaniets, M. V.

2018-04-01

Using the representation for renormalization group functions in terms of nonsingular integrals, we calculate the dynamical critical exponents in the model of critical dynamics of ferromagnets in the fourth order of the ɛ-expansion. We calculate the Feynman diagrams using the sector decomposition technique generalized to critical dynamics problems.

The influence of grain boundary geometry on intergranular crack propagation in Ni[sub 3]Al

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hui Lin; Pope, D.P.

1993-02-01

The distribution of grain boundary types along intergranular cracks in Ni[sub 3]Al was measured, by [Sigma] value, and compared to the distribution in the bulk, using statistically significant sample sizes. It was found that low angle ([Sigma] 1) and symmetrical [Sigma]3 boundaries (twins) are particularly strong, and all high angle boundaries, independent of their [Sigma] values are weak. In particular, low [Sigma], high angle boundaries, as a group, are also weak. These results are in qualitative agreement with predictions based on the structural unit model and imply that the fracture strength of an intergranularly brittle polycrystalline aggregate can be increasedmore » only by increasing the fraction of low angle and symmetrical [Sigma]3 boundaries.« less

Synthesis and pharmacological evaluation of indole-based sigma receptor ligands

PubMed Central

Mésangeau, Christophe; Amata, Emanuele; Alsharif, Walid; Seminerio, Michael J.; Robson, Matthew J.; Matsumoto, Rae R.; Poupaert, Jacques H.; McCurdy, Christopher R.

2011-01-01

A series of novel indole-based analogues were prepared and their affinities for sigma receptors were determined using in vitro radioligand binding assays. The results of this study identified several compounds with nanomolar sigma-2 affinity and significant selectivity over sigma-1 receptors. In particular, 2-(4-(3-(4-fluorophenyl)indol-1-yl)butyl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline (9f) was found to display high affinity at sigma-2 receptors with good selectivity (σ-1/σ-2 = 395). The pharmacological binding profile for this compound was established with other relevant nonsigma sites. PMID:21899931

Sigma Metrics Across the Total Testing Process.

PubMed

Charuruks, Navapun

2017-03-01

Laboratory quality control has been developed for several decades to ensure patients' safety, from a statistical quality control focus on the analytical phase to total laboratory processes. The sigma concept provides a convenient way to quantify the number of errors in extra-analytical and analytical phases through the defect per million and sigma metric equation. Participation in a sigma verification program can be a convenient way to monitor analytical performance continuous quality improvement. Improvement of sigma-scale performance has been shown from our data. New tools and techniques for integration are needed. Copyright © 2016 Elsevier Inc. All rights reserved.

Analysis of p21-Activated Kinase Function in Neurofibromatosis Type 2

DTIC Science & Technology

2010-01-01

6,6′-dithiobis) for 10 min, before stimulation with 10% FCS (PAA, Pasching, Austria), 0.5 μM forskolin (Sigma-Aldrich, St. Louis, USA), 10 nM β1...0.5 μM forskolin (Sigma-Aldrich), 10 nM β1- heregulin144–244 (Genentech), 0.5 mM 3-isobutyl-1-methylxanthin (IBMX, Sigma-Aldrich) and 2.5 μg/ml...0.5 μM forskolin (Sigma-Aldrich), 10 nM β1-heregulin144–244 (Genentech), 0.5 mM 3-isobutyl-1-methylxanthin and 2.5 μg/ml insulin (both from Sigma

Ground state of excitonic molecules by the Green's-function Monte Carlo method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, M.A.; Vashishta, P.; Kalia, R.K.

1983-12-26

The ground-state energy of excitonic molecules is evaluated as a function of the ratio of electron and hole masses, sigma, with use of the Green's-function Monte Carlo method. For all sigma, the Green's-function Monte Carlo energies are significantly lower than the variational estimates and in favorable agreement with experiments. In excitonic rydbergs, the binding energy of the positronium molecule (sigma = 1) is predicted to be -0.06 and for sigma<<1, the Green's-function Monte Carlo energies agree with the ''exact'' limiting behavior, E = -2.346+0.764sigma.

Quantum Crystallography: Density Matrix-Density Functional Theory and the X-Ray Diffraction Experiment

NASA Astrophysics Data System (ADS)

Soirat, Arnaud J. A.

Density Matrix Theory is a Quantum Mechanical formalism in which the wavefunction is eliminated and its role taken over by reduced density matrices. The interest of this is that, it allows one, in principle, to calculate any electronic property of a physical system, without having to solve the Schrodinger equation, using only two entities much simpler than an N-body wavefunction: first and second -order reduced density matrices. In practice, though, this very promising possibility faces the tremendous theoretical problem of N-representability, which has been solved for the former, but, until now, voids any hope of theoretically determining the latter. However, it has been shown that single determinant reduced density matrices of any order may be recovered from coherent X-ray diffraction data, if one provides a proper Quantum Mechanical description of the Crystallography experiment. A deeper investigation of this method is the purpose of this work, where we, first, further study the calculation of X-ray reduced density matrices N-representable by a single Slater determinant. In this context, we independently derive necessary and sufficient conditions for the uniqueness of the method. We then show how to account for electron correlation in this model. For the first time, indeed, we derive highly accurate, yet practical, density matrices approximately N-representable by correlated-determinant wavefunctions. The interest of such a result lies in the Quantum Mechanical validity of these density matrices, their property of being entirely obtainable from X-ray coherent diffraction data, their very high accuracy conferred by this known property of the N-representing wavefunction, as well as their definition as explicit functionals of the density. All of these properties are finally used in both a theoretical and a numerical application: in the former, we show that these density matrices may be used in the context of Density Functional Theory to highly accurately determine the unknown HK functional, associated with the theorem of Hohenberg and Kohn. The latter is provided by the calculation of helium correlation energy, where we test approximating the second-order density function by the leading term of its McLaurin's series expansion.

Emergence of criticality in the transportation passenger flow: scaling and renormalization in the Seoul bus system.

PubMed

Goh, Segun; Lee, Keumsook; Choi, Moo Young; Fortin, Jean-Yves

2014-01-01

Social systems have recently attracted much attention, with attempts to understand social behavior with the aid of statistical mechanics applied to complex systems. Collective properties of such systems emerge from couplings between components, for example, individual persons, transportation nodes such as airports or subway stations, and administrative districts. Among various collective properties, criticality is known as a characteristic property of a complex system, which helps the systems to respond flexibly to external perturbations. This work considers the criticality of the urban transportation system entailed in the massive smart card data on the Seoul transportation network. Analyzing the passenger flow on the Seoul bus system during one week, we find explicit power-law correlations in the system, that is, power-law behavior of the strength correlation function of bus stops and verify scale invariance of the strength fluctuations. Such criticality is probed by means of the scaling and renormalization analysis of the modified gravity model applied to the system. Here a group of nearby (bare) bus stops are transformed into a (renormalized) "block stop" and the scaling relations of the network density turn out to be closely related to the fractal dimensions of the system, revealing the underlying structure. Specifically, the resulting renormalized values of the gravity exponent and of the Hill coefficient give a good description of the Seoul bus system: The former measures the characteristic dimensionality of the network whereas the latter reflects the coupling between distinct transportation modes. It is thus demonstrated that such ideas of physics as scaling and renormalization can be applied successfully to social phenomena exemplified by the passenger flow.

Emergence of Criticality in the Transportation Passenger Flow: Scaling and Renormalization in the Seoul Bus System

PubMed Central

Goh, Segun; Lee, Keumsook; Choi, MooYoung; Fortin, Jean-Yves

2014-01-01

Social systems have recently attracted much attention, with attempts to understand social behavior with the aid of statistical mechanics applied to complex systems. Collective properties of such systems emerge from couplings between components, for example, individual persons, transportation nodes such as airports or subway stations, and administrative districts. Among various collective properties, criticality is known as a characteristic property of a complex system, which helps the systems to respond flexibly to external perturbations. This work considers the criticality of the urban transportation system entailed in the massive smart card data on the Seoul transportation network. Analyzing the passenger flow on the Seoul bus system during one week, we find explicit power-law correlations in the system, that is, power-law behavior of the strength correlation function of bus stops and verify scale invariance of the strength fluctuations. Such criticality is probed by means of the scaling and renormalization analysis of the modified gravity model applied to the system. Here a group of nearby (bare) bus stops are transformed into a (renormalized) “block stop” and the scaling relations of the network density turn out to be closely related to the fractal dimensions of the system, revealing the underlying structure. Specifically, the resulting renormalized values of the gravity exponent and of the Hill coefficient give a good description of the Seoul bus system: The former measures the characteristic dimensionality of the network whereas the latter reflects the coupling between distinct transportation modes. It is thus demonstrated that such ideas of physics as scaling and renormalization can be applied successfully to social phenomena exemplified by the passenger flow. PMID:24599221

Automated system for measurement, collection and processing of hydrometeorological data aboard scientific research vessels of the GUGMS (SIGMA-s)

NASA Technical Reports Server (NTRS)

Borisenkov, Y. P.; Fedorov, O. M.

1974-01-01

A report is made on the automated system known as SIGMA-s for the measurement, collection, and processing of hydrometeorological data aboard scientific research vessels of the Hydrometeorological Service. The various components of the system and the interfacing between them are described, as well as the projects that the system is equipped to handle.

Assessing precision, bias and sigma-metrics of 53 measurands of the Alinity ci system.

PubMed

Westgard, Sten; Petrides, Victoria; Schneider, Sharon; Berman, Marvin; Herzogenrath, Jörg; Orzechowski, Anthony

2017-12-01

Assay performance is dependent on the accuracy and precision of a given method. These attributes can be combined into an analytical Sigma-metric, providing a simple value for laboratorians to use in evaluating a test method's capability to meet its analytical quality requirements. Sigma-metrics were determined for 37 clinical chemistry assays, 13 immunoassays, and 3 ICT methods on the Alinity ci system. Analytical Performance Specifications were defined for the assays, following a rationale of using CLIA goals first, then Ricos Desirable goals when CLIA did not regulate the method, and then other sources if the Ricos Desirable goal was unrealistic. A precision study was conducted at Abbott on each assay using the Alinity ci system following the CLSI EP05-A2 protocol. Bias was estimated following the CLSI EP09-A3 protocol using samples with concentrations spanning the assay's measuring interval tested in duplicate on the Alinity ci system and ARCHITECT c8000 and i2000 SR systems, where testing was also performed at Abbott. Using the regression model, the %bias was estimated at an important medical decisions point. Then the Sigma-metric was estimated for each assay and was plotted on a method decision chart. The Sigma-metric was calculated using the equation: Sigma-metric=(%TEa-|%bias|)/%CV. The Sigma-metrics and Normalized Method Decision charts demonstrate that a majority of the Alinity assays perform at least at five Sigma or higher, at or near critical medical decision levels. More than 90% of the assays performed at Five and Six Sigma. None performed below Three Sigma. Sigma-metrics plotted on Normalized Method Decision charts provide useful evaluations of performance. The majority of Alinity ci system assays had sigma values >5 and thus laboratories can expect excellent or world class performance. Laboratorians can use these tools as aids in choosing high-quality products, further contributing to the delivery of excellent quality healthcare for patients. Copyright © 2017 The Canadian Society of Clinical Chemists. Published by Elsevier Inc. All rights reserved.

Expression pattern of the type 1 sigma receptor in the brain and identity of critical anionic amino acid residues in the ligand-binding domain of the receptor.

PubMed

Seth, P; Ganapathy, M E; Conway, S J; Bridges, C D; Smith, S B; Casellas, P; Ganapathy, V

2001-07-25

The type 1 sigma receptor (sigmaR1) has been shown to participate in a variety of functions in the central nervous system. To identify the specific regions of the brain that are involved in sigmaR1 function, we analyzed the expression pattern of the receptor mRNA in the mouse brain by in situ hybridization. SigmaR1 mRNA was detectable primarily in the cerebral cortex, hippocampus, and Purkinje cells of cerebellum. To identify the critical anionic amino acid residues in the ligand-binding domain of sigmaR1, we employed two different approaches: chemical modification of anionic amino acid residues and site-directed mutagenesis. Chemical modification of anionic amino acids in sigmaR1 with 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide reduced the ligand-binding activity markedly. Since it is known that a splice variant of this receptor which lacks exon 3 does not have the ability to bind sigma ligands, the ligand-binding domain with its critical anionic amino acid residues is likely to be present in or around the region coded by exon 3. Therefore, each of the anionic amino acids in this region was mutated individually and the influence of each mutation on ligand binding was assessed. These studies have identified two anionic amino acids, D126 and E172, that are obligatory for ligand binding. Even though the ligand-binding function was abolished by these two mutations, the expression of these mutants was normal at the protein level. These results show that sigmaR1 is expressed at high levels in specific areas of the brain that are involved in memory, emotion and motor functions. The results also provide important information on the chemical nature of the ligand-binding site of sigmaR1 that may be of use in the design of sigmaR1-specific ligands with potential for modulation of sigmaR1-related brain functions.

AtSIG6 and other members of the sigma gene family jointly but differentially determine plastid target gene expression in Arabidopsis thaliana

PubMed Central

Bock, Sylvia; Ortelt, Jennifer; Link, Gerhard

2014-01-01

Plants contain a nuclear gene family for plastid sigma factors, i.e., proteins that associate with the “bacterial-type” organellar RNA polymerase and confer the ability for correct promoter binding and transcription initiation. Questions that are still unresolved relate to the “division of labor” among members of the sigma family, both in terms of their range of target genes and their temporal and spatial activity during development. Clues to the in vivo role of individual sigma genes have mainly come from studies of sigma knockout lines. Despite its obvious strengths, however, this strategy does not necessarily trace-down causal relationships between mutant phenotype and a single sigma gene, if other family members act in a redundant and/or compensatory manner. We made efforts to reduce the complexity by genetic crosses of Arabidopsis single mutants (with focus on a chlorophyll-deficient sig6 line) to generate double knockout lines. The latter typically had a similar visible phenotype as the parental lines, but tended to be more strongly affected in the transcript patterns of both plastid and sigma genes. Because triple mutants were lethal under our growth conditions, we exploited a strategy of transformation of single and double mutants with RNAi constructs that contained sequences from the unconserved sigma region (UCR). These RNAi/knockout lines phenotypically resembled their parental lines, but were even more strongly affected in their plastid transcript patterns. Expression patterns of sigma genes revealed both similarities and differences compared to the parental lines, with transcripts at reduced or unchanged amounts and others that were found to be present in higher (perhaps compensatory) amounts. Together, our results reveal considerable flexibility of gene activity at the levels of both sigma and plastid gene expression. A (still viable) “basal state” seems to be reached, if 2–3 of the 6 Arabidopsis sigma genes are functionally compromised. PMID:25505479

The effect of the sigma-1 receptor selective compound LS-1-137 on the DOI-induced head twitch response in mice.

PubMed

Malik, Maninder; Rangel-Barajas, Claudia; Mach, Robert H; Luedtke, Robert R

2016-09-01

Several receptor mediated pathways have been shown to modulate the murine head twitch response (HTR). However, the role of sigma receptors in the murine (±)-2,5-dimethoxy-4-iodoamphetamine (DOI)-induced HTR has not been previously investigated. We examined the ability of LS-1-137, a novel sigma-1 vs. sigma-2 receptor selective phenylacetamide, to modulate the DOI-induced HTR in DBA/2J mice. We also assessed the in vivo efficacy of reference sigma-1 receptor antagonists and agonists PRE-084 and PPCC. The effect of the sigma-2 receptor selective antagonist RHM-1-86 was also examined. Rotarod analysis was performed to monitor motor coordination after LS-1-137 administration. Radioligand binding techniques were used to determine the affinity of LS-1-137 at 5-HT2A and 5-HT2C receptors. LS-1-137 and the sigma-1 receptor antagonists haloperidol and BD 1047 were able to attenuate a DOI-induced HTR, indicating that LS-1-137 was acting in vivo as a sigma-1 receptor antagonist. LS-1-137 did not compromise rotarod performance within a dose range capable of attenuating the effects of DOI. Radioligand binding studies indicate that LS-1-137 exhibits low affinity binding at both 5-HT2A and 5-HT2C receptors. Based upon the results from these and our previous studies, LS-1-137 is a neuroprotective agent that attenuates the murine DOI-induced HTR independent of activity at 5-HT2 receptor subtypes, D2-like dopamine receptors, sigma-2 receptors and NMDA receptors. LS-1-137 appears to act as a sigma-1 receptor antagonist to inhibit the DOI-induced HTR. Therefore, the DOI-induced HTR can be used to assess the in vivo efficacy of sigma-1 receptor selective compounds. Copyright © 2016. Published by Elsevier Inc.

Bacillus subtilis sporulation: regulation of gene expression and control of morphogenesis.

PubMed Central

Errington, J

1993-01-01

Bacillus subtilis sporulation is an adaptive response to nutritional stress and involves the differential development of two cells. In the last 10 years or so, virtually all of the regulatory genes controlling sporulation, and many genes directing the structural and morphological changes that accompany sporulation, have been cloned and characterized. This review describes our current knowledge of the program of gene expression during sporulation and summarizes what is known about the functions of the genes that determine the specialized biochemical and morphological properties of sporulating cells. Most steps in the genetic program are controlled by transcription factors that have been characterized in vitro. Two sporulation-specific sigma factors, sigma E and sigma F, appear to segregate at septation, effectively determining the differential development of the mother cell and prespore. Later, each sigma is replaced by a second cell-specific sigma factor, sigma K in the mother cell and sigma G in the prespore. The synthesis of each sigma factor is tightly regulated at both the transcriptional and posttranslational levels. Usually this regulation involves an intercellular interaction that coordinates the developmental programmes of the two cells. At least two other transcription factors fine tune the timing and levels of expression of genes in the sigma E and sigma K regulons. The controlled synthesis of the sigma factors and other transcription factors leads to a spatially and temporally ordered program of gene expression. The gene products made during each successive stage of sporulation help to bring about a sequence of gross morphological changes and biochemical adaptations. The formation of the asymmetric spore septum, engulfment of the prespore by the mother cell, and formation of the spore core, cortex, and coat are described. The importance of these structures in the development of the resistance, dormancy, and germination properties of the spore is assessed. Images PMID:8464402