Sadeghian, Keyarash; Bocola, Marco; Schütz, Martin
2011-05-01
The intermolecular interactions of the photodamaged cyclobutane pyrimidine dimer (CPD) lesion with adjacent nucleobases in the native intrahelical DNA double strand are investigated at the level of density functional theory symmetry-adapted perturbation theory (DFT-SAPT) and compared to the original (or repaired) case with pyrimidines (TpT) instead of CPD. The CPD aggregation is on average destabilized by about 6 kcal mol(-1) relative to that involving TpT. The effect of destabilization is asymmetric, that is, it involves a single H-bonding (Watson-Crick (WC) type) base-pair interaction. PMID:21452189
Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory
NASA Astrophysics Data System (ADS)
McDaniel, Jesse G.; Schmidt, J. R.
2016-05-01
Symmetry-adapted perturbation theory (SAPT) provides a unique set of advantages for parameterizing next-generation force fields from first principles. SAPT provides a direct, basis-set superposition error free estimate of molecular interaction energies, a physically intuitive energy decomposition, and a seamless transition to an asymptotic picture of intermolecular interactions. These properties have been exploited throughout the literature to develop next-generation force fields for a variety of applications, including classical molecular dynamics simulations, crystal structure prediction, and quantum dynamics/spectroscopy. This review provides a brief overview of the formalism and theory of SAPT, along with a practical discussion of the various methodologies utilized to parameterize force fields from SAPT calculations. It also highlights a number of applications of SAPT-based force fields for chemical systems of particular interest. Finally, the review ends with a brief outlook on the future opportunities and challenges that remain for next-generation force fields based on SAPT.
Next-Generation Force Fields from Symmetry-Adapted Perturbation Theory.
McDaniel, Jesse G; Schmidt, J R
2016-05-27
Symmetry-adapted perturbation theory (SAPT) provides a unique set of advantages for parameterizing next-generation force fields from first principles. SAPT provides a direct, basis-set superposition error free estimate of molecular interaction energies, a physically intuitive energy decomposition, and a seamless transition to an asymptotic picture of intermolecular interactions. These properties have been exploited throughout the literature to develop next-generation force fields for a variety of applications, including classical molecular dynamics simulations, crystal structure prediction, and quantum dynamics/spectroscopy. This review provides a brief overview of the formalism and theory of SAPT, along with a practical discussion of the various methodologies utilized to parameterize force fields from SAPT calculations. It also highlights a number of applications of SAPT-based force fields for chemical systems of particular interest. Finally, the review ends with a brief outlook on the future opportunities and challenges that remain for next-generation force fields based on SAPT. PMID:27070322
Tuned range-separated hybrid functionals in the symmetry-adapted perturbation theory
Hapka, Michał; Modrzejewski, Marcin; Rajchel, Łukasz; Chałasiński, Grzegorz; Szczęśniak, Małgorzata M.
2014-10-07
The aim of this study is to present a performance test of optimally tuned long-range corrected (LRC) functionals applied to the symmetry-adapted perturbation theory (SAPT). In the present variant, the second-order energy components are evaluated at the coupled level of theory. We demonstrate that the generalized Kohn-Sham (GKS) description of monomers with optimally tuned LRC functionals may be essential for the quality of SAPT interaction energy components. This is connected to the minimization of a many-electron self-interaction error and exemplified by two model systems: polyacetylenes of increasing length and stretching of He{sub 3}{sup +}. Next we provide a comparison of SAPT approaches based on Kohn-Sham and GKS description of the monomers. We show that LRC leads to results better or comparable with the hitherto prevailing asymptotically corrected functionals. Finally, we discuss the advantages and possible limitations of SAPT based on LRC functionals.
Intermolecular symmetry-adapted perturbation theory study of large organic complexes
Heßelmann, Andreas; Korona, Tatiana
2014-09-07
Binding energies for the complexes of the S12L database by Grimme [Chem. Eur. J. 18, 9955 (2012)] were calculated using intermolecular symmetry-adapted perturbation theory combined with a density-functional theory description of the interacting molecules. The individual interaction energy decompositions revealed no particular change in the stabilisation pattern as compared to smaller dimer systems at equilibrium structures. This demonstrates that, to some extent, the qualitative description of the interaction of small dimer systems may be extrapolated to larger systems, a method that is widely used in force-fields in which the total interaction energy is decomposed into atom-atom contributions. A comparison of the binding energies with accurate experimental reference values from Grimme, the latter including thermodynamic corrections from semiempirical calculations, has shown a fairly good agreement to within the error range of the reference binding energies.
Linear-scaling symmetry-adapted perturbation theory with scaled dispersion
Maurer, Simon A.; Beer, Matthias; Lambrecht, Daniel S.; Ochsenfeld, Christian
2013-11-14
We present a linear-scaling symmetry-adapted perturbation theory (SAPT) method that is based on an atomic orbital (AO) formulation of zeroth-order SAPT (SAPT0). The non-dispersive terms are realized with linear-scaling cost using both the continuous fast multipole method (CFMM) and the linear exchange (LinK) approach for integral contractions as well as our efficient Laplace-based coupled-perturbed self-consistent field method (DL-CPSCF) for evaluating response densities. The reformulation of the dispersion term is based on our linear-scaling AO Møller-Plesset second-order perturbation theory (AO-MP2) method, that uses our recently introduced QQR-type screening [S. A. Maurer, D. S. Lambrecht, J. Kussmann, and C. Ochsenfeld, J. Chem. Phys. 138, 014101 (2013)] for preselecting numerically significant energy contributions. Similar to scaled opposite-spin MP2, we neglect the exchange-dispersion term in SAPT and introduce a scaling factor for the dispersion term, which compensates for the error and at the same time accounts for basis set incompleteness effects and intramonomer correlation. We show in extensive benchmark calculations that the new scaled-dispersion (sd-)SAPT0 approach provides reliable results for small and large interacting systems where the results with a small 6-31G** basis are roughly comparable to supermolecular MP2 calculations in a triple-zeta basis. The performance of our method is demonstrated with timings on cellulose fragments, DNA systems, and cutouts of a protein-ligand complex with up to 1100 atoms on a single computer core.
Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
NASA Astrophysics Data System (ADS)
Pastorczak, Ewa; Prlj, Antonio; Gonthier, Jérôme F.; Corminboeuf, Clémence
2015-12-01
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 deliver 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.
Symmetry-adapted perturbation theory interaction energy decomposition for some noble gas complexes
NASA Astrophysics Data System (ADS)
Cukras, Janusz; Sadlej, Joanna
2008-06-01
This Letter contains a study of the interaction energy in HArF⋯N 2 and HArF⋯P 2 complexes. Symmetry-adapted perturbation theory (SAPT) has been applied to analyze the electrostatic, induction, dispersion and exchange contributions to the total interaction energy. The interaction energy has also been obtained by supermolecular method at the MP2, MP4, CCSD, CCSD(T) levels. The interaction energy for the studied complexes results from a partial cancelation of large attractive electrostatic, induction, dispersion terms by a strong repulsive exchange contribution. The induction and dispersion effects proved to be crucial in establishing the preference for the colinear HArF⋯N 2 and HArF⋯P 2 structures and shift direction of νHAr stretching vibrations.
Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction
Pastorczak, Ewa; Prlj, Antonio; Corminboeuf, Clémence; Gonthier, Jérôme F.
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 deliver 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.
Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction.
Pastorczak, Ewa; Prlj, Antonio; Gonthier, Jérôme F; Corminboeuf, Clémence
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 deliver 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. PMID:26671358
Riley, Kevin E.; Hobza, Pavel
2008-01-12
In recent years it has been recognized that, because of their unique properties, halogen bonds have tremendous potential in the development of new pharmaceutical compounds and materials. In this study we investigate the phenomenon of halogen bonding by carrying out ab initio calculations on the halomethane-formaldehyde complexes as well as the fluorine substituted FnH₃-nCX---OCH₂ dimers, where the halogen bonding halogens (X) are chlorine, bromine, and iodine. Coupled cluster (CCSD(T)/aug-cc-pVTZ) calculations indicate that the binding energies for these type of interactions lie in the range between -1.05 kcal/mol (H₃CCl---OCH₂) and -3.72 kcal/mol (F₃CI---OCH₂). One of the most important findings in this study is that, according to symmetry adapted perturbation theory (SAPT) analyses, halogen bonds are largely dependent on both electrostatic and dispersion type interactions. As the halogen atom involved in halogen bonding becomes larger the interaction strength for this type of interaction also gets larger and, interestingly, more electrostatic (and less dispersive) in character. Halogen bonding interactions also become stronger and more electrostatic upon substitution of (the very electronegative) fluorines onto the halomethane molecule.
Automated Lattice Perturbation Theory
Monahan, Christopher
2014-11-01
I review recent developments in automated lattice perturbation theory. Starting with an overview of lattice perturbation theory, I focus on the three automation packages currently "on the market": HiPPy/HPsrc, Pastor and PhySyCAl. I highlight some recent applications of these methods, particularly in B physics. In the final section I briefly discuss the related, but distinct, approach of numerical stochastic perturbation theory.
Palenik, Mark C.; Dunlap, Brett I.
2015-07-28
Despite the fundamental importance of electron density in density functional theory, perturbations are still usually dealt with using Hartree-Fock-like orbital equations known as coupled-perturbed Kohn-Sham (CPKS). As an alternative, we develop a perturbation theory that solves for the perturbed density directly, removing the need for CPKS. This replaces CPKS with a true Hohenberg-Kohn density perturbation theory. In CPKS, the perturbed density is found in the basis of products of occupied and virtual orbitals, which becomes ever more over-complete as the size of the orbital basis set increases. In our method, the perturbation to the density is expanded in terms of a series of density basis functions and found directly. It is possible to solve for the density in such a way that it makes the total energy stationary even if the density basis is incomplete.
NASA Astrophysics Data System (ADS)
Parrish, Robert M.; Sherrill, C. David
2014-07-01
We develop a physically-motivated assignment of symmetry adapted perturbation theory for intermolecular interactions (SAPT) into atom-pairwise contributions (the A-SAPT partition). The basic precept of A-SAPT is that the many-body interaction energy components are computed normally under the formalism of SAPT, following which a spatially-localized two-body quasiparticle interaction is extracted from the many-body interaction terms. For electrostatics and induction source terms, the relevant quasiparticles are atoms, which are obtained in this work through the iterative stockholder analysis (ISA) procedure. For the exchange, induction response, and dispersion terms, the relevant quasiparticles are local occupied orbitals, which are obtained in this work through the Pipek-Mezey procedure. The local orbital atomic charges obtained from ISA additionally allow the terms involving local orbitals to be assigned in an atom-pairwise manner. Further summation over the atoms of one or the other monomer allows for a chemically intuitive visualization of the contribution of each atom and interaction component to the overall noncovalent interaction strength. Herein, we present the intuitive development and mathematical form for A-SAPT applied in the SAPT0 approximation (the A-SAPT0 partition). We also provide an efficient series of algorithms for the computation of the A-SAPT0 partition with essentially the same computational cost as the corresponding SAPT0 decomposition. We probe the sensitivity of the A-SAPT0 partition to the ISA grid and convergence parameter, orbital localization metric, and induction coupling treatment, and recommend a set of practical choices which closes the definition of the A-SAPT0 partition. We demonstrate the utility and computational tractability of the A-SAPT0 partition in the context of side-on cation-π interactions and the intercalation of DNA by proflavine. A-SAPT0 clearly shows the key processes in these complicated noncovalent interactions, in
Parrish, Robert M.; Sherrill, C. David
2014-07-28
We develop a physically-motivated assignment of symmetry adapted perturbation theory for intermolecular interactions (SAPT) into atom-pairwise contributions (the A-SAPT partition). The basic precept of A-SAPT is that the many-body interaction energy components are computed normally under the formalism of SAPT, following which a spatially-localized two-body quasiparticle interaction is extracted from the many-body interaction terms. For electrostatics and induction source terms, the relevant quasiparticles are atoms, which are obtained in this work through the iterative stockholder analysis (ISA) procedure. For the exchange, induction response, and dispersion terms, the relevant quasiparticles are local occupied orbitals, which are obtained in this work through the Pipek-Mezey procedure. The local orbital atomic charges obtained from ISA additionally allow the terms involving local orbitals to be assigned in an atom-pairwise manner. Further summation over the atoms of one or the other monomer allows for a chemically intuitive visualization of the contribution of each atom and interaction component to the overall noncovalent interaction strength. Herein, we present the intuitive development and mathematical form for A-SAPT applied in the SAPT0 approximation (the A-SAPT0 partition). We also provide an efficient series of algorithms for the computation of the A-SAPT0 partition with essentially the same computational cost as the corresponding SAPT0 decomposition. We probe the sensitivity of the A-SAPT0 partition to the ISA grid and convergence parameter, orbital localization metric, and induction coupling treatment, and recommend a set of practical choices which closes the definition of the A-SAPT0 partition. We demonstrate the utility and computational tractability of the A-SAPT0 partition in the context of side-on cation-π interactions and the intercalation of DNA by proflavine. A-SAPT0 clearly shows the key processes in these complicated noncovalent interactions, in
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2013-12-21
In this work, we aim to develop a version of the Statistical Associating Fluid Theory (SAFT)-γ equation of state (EOS) that is compatible with united-atom force fields, rather than experimental data. We rely on the accuracy of the force fields to provide the relation to experimental data. Although, our objective is a transferable theory of interfacial properties for soft and fused heteronuclear chains, we first clarify the details of the SAFT-γ approach in terms of site-based simulations for homogeneous fluids. We show that a direct comparison of Helmholtz free energy to molecular simulation, in the framework of a third order Weeks-Chandler-Andersen perturbation theory, leads to an EOS that takes force field parameters as input and reproduces simulation results for Vapor-Liquid Equilibria (VLE) calculations. For example, saturated liquid density and vapor pressure of n-alkanes ranging from methane to dodecane deviate from those of the Transferable Potential for Phase Equilibria (TraPPE) force field by about 0.8% and 4%, respectively. Similar agreement between simulation and theory is obtained for critical properties and second virial coefficient. The EOS also reproduces simulation data of mixtures with about 5% deviation in bubble point pressure. Extension to inhomogeneous systems and united-atom site types beyond those used in description of n-alkanes will be addressed in succeeding papers.
NASA Astrophysics Data System (ADS)
Tiburzi, Brian C.
The era of high-precision lattice QCD has led to synergy between lattice computations and phenomenological input from chiral perturbation theory. We provide an introduction to chiral perturbation theory with a bent towards understanding properties of the nucleon and other low-lying baryons. Four main topics are the basis for this chapter. We begin with a discussion of broken symmetries and the procedure to construct the chiral Lagrangian. The second topic concerns specialized applications of chiral perturbation theory tailored to lattice QCD, such as partial quenching, lattice discretization, and finite-volume effects. We describe inclusion of the nucleon in chiral perturbation theory using a heavy-fermion Euclidean action. Issues of convergence are taken up as our final topic. We consider expansions in powers of the strange-quark mass, and the appearance of unphysical singularities in the heavy-particle formulation. Our aim is to guide lattice practitioners in understanding the predictions chiral perturbation theory makes for baryons, and show how the lattice will play a role in testing the rigor of the chiral expansion at physical values of the quark masses.
Topology and perturbation theory
NASA Astrophysics Data System (ADS)
Manjavidze, J.
2000-08-01
This paper contains description of the fields nonlinear modes successive quantization scheme. It is shown that the path integrals for absorption part of amplitudes are defined on the Dirac (δ-like) functional measure. This permits arbitrary transformation of the functional integral variables. New form of the perturbation theory achieved by mapping the quantum dynamics in the space WG of the (action, angle)-type collective variables. It is shown that the transformed perturbation theory contributions are accumulated exactly on the boundary ∂WG. Abilities of the developed formalism are illustrated by the Coulomb problem. This model is solved in the WC=(angle, angular momentum, Runge-Lentz vector) space and the reason of its exact integrability is emptiness of ∂WC.
Baryon chiral perturbation theory
NASA Astrophysics Data System (ADS)
Scherer, S.
2012-03-01
We provide a short introduction to the one-nucleon sector of chiral perturbation theory and address the issue of power counting and renormalization. We discuss the infrared regularization and the extended on-mass-shell scheme. Both allow for the inclusion of further degrees of freedom beyond pions and nucleons and the application to higher-loop calculations. As applications we consider the chiral expansion of the nucleon mass to order Script O(q6) and the inclusion of vector and axial-vector mesons in the calculation of nucleon form factors. Finally, we address the complex-mass scheme for describing unstable particles in effective field theory.
Intermolecular perturbation theory
NASA Astrophysics Data System (ADS)
Hayes, I. C.; Hurst, G. J. B.; Stone, A. J.
The new intermolecular perturbation theory described in the preceding papers is applied to some van der Waals molecules. HeBe is used as a test case, and the perturbation method converges well at interatomic distances down to about 4 a0, giving results in excellent agreement with supermolecule calculations. ArHF and ArHCl have been studied using large basis sets, and the results agree well with experimental data. The ArHX configuration is favoured over the ArXH configuration mainly because of larger polarization and charge-transfer contributions. In NeH2 the equilibrium geometry is determined by a delicate balance between opposing effects; with a double-zeta-polarization basis the correct configuration is predicted.
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
Gonthier, Jérôme F.; Corminboeuf, Clémence
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 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
Canonical floquet perturbation theory
NASA Astrophysics Data System (ADS)
Pohlen, David J.
1992-12-01
Classical Floquet theory is examined in order to generate a canonical transformation to modal variables for periodic system. This transformation is considered canonical if the periodic matrix of eigenvectors is symplectic at the initial time. Approaches for symplectic normalization of the eigenvectors had to be examined for each of the different Poincare eigenvalue cases. Particular attention was required in the degenerate case, which depended on the solution of a generalized eigenvector. Transformation techniques to ensure real modal variables and real periodic eigenvectors were also needed. Periodic trajectories in the restricted three-body case were then evaluated using the canonical Floquet solution. The system used for analyses is the Sun-Jupiter system. This system was especially useful since it contained two of the more difficult Poincare eigenvalue cases, the degenerate case and the imaginary eigenvalue case. The perturbation solution to the canonical modal variables was examined using both an expansion of the Hamiltonian and using a representation that was considered exact. Both methods compared quite well for small perturbations to the initial condition. As expected, the expansion solution failed first due to truncation after the third order term of the expansion.
Tafipolsky, Maxim; Ansorg, Kay
2016-03-01
It is argued here that the functional forms adopted in almost all popular force fields are too restrictive to allow for accurate and physics-based parametrization. Some important modifications are suggested based on symmetry-adapted intermolecular perturbation theory, which directly separates the intermolecular interaction energy into four physically interpretable components: electrostatics, exchange-repulsion, dispersion, and induction. The exact electrostatic energy is approximated as a sum of the short-range contribution (due to charge density penetration effects), included explicitly, and the long-range part (via distributed atomic multipoles), whereas the induction energy is evaluated by means of the distributed induced damped point dipole model. The dispersion energy is fitted to a simple analytical function and the exchange-repulsion contribution is approximated by the overlap of the valence-only electron charge densities of monomers. The water dimer is used to illustrate the approach and to discuss its potential and possible improvements. Analysis of the four main contributions to the binding energy allows for a deeper understanding of the hydrogen bond directionality. It is found that a notorious geometrical preference in the water dimer results mainly from large polarization contributions, including induction and dispersion. PMID:26820162
Canonical density matrix perturbation theory.
Niklasson, Anders M N; Cawkwell, M J; Rubensson, Emanuel H; Rudberg, Elias
2015-12-01
Density matrix perturbation theory [Niklasson and Challacombe, Phys. Rev. Lett. 92, 193001 (2004)] is generalized to canonical (NVT) free-energy ensembles in tight-binding, Hartree-Fock, or Kohn-Sham density-functional theory. The canonical density matrix perturbation theory can be used to calculate temperature-dependent response properties from the coupled perturbed self-consistent field equations as in density-functional perturbation theory. The method is well suited to take advantage of sparse matrix algebra to achieve linear scaling complexity in the computational cost as a function of system size for sufficiently large nonmetallic materials and metals at high temperatures. PMID:26764847
Renormalized Lie perturbation theory
Rosengaus, E.; Dewar, R.L.
1981-07-01
A Lie operator method for constructing action-angle transformations continuously connected to the identity is developed for area preserving mappings. By a simple change of variable from action to angular frequency a perturbation expansion is obtained in which the small denominators have been renormalized. The method is shown to lead to the same series as the Lagrangian perturbation method of Greene and Percival, which converges on KAM surfaces. The method is not superconvergent, but yields simple recursion relations which allow automatic algebraic manipulation techniques to be used to develop the series to high order. It is argued that the operator method can be justified by analytically continuing from the complex angular frequency plane onto the real line. The resulting picture is one where preserved primary KAM surfaces are continuously connected to one another.
Basics of QCD perturbation theory
Soper, D.E.
1997-06-01
This is an introduction to the use of QCD perturbation theory, emphasizing generic features of the theory that enable one to separate short-time and long-time effects. The author also covers some important classes of applications: electron-positron annihilation to hadrons, deeply inelastic scattering, and hard processes in hadron-hadron collisions. 31 refs., 38 figs.
NASA Astrophysics Data System (ADS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2013-12-01
In this work, we aim to develop a version of the Statistical Associating Fluid Theory (SAFT)-γ equation of state (EOS) that is compatible with united-atom force fields, rather than experimental data. We rely on the accuracy of the force fields to provide the relation to experimental data. Although, our objective is a transferable theory of interfacial properties for soft and fused heteronuclear chains, we first clarify the details of the SAFT-γ approach in terms of site-based simulations for homogeneous fluids. We show that a direct comparison of Helmholtz free energy to molecular simulation, in the framework of a third order Weeks-Chandler-Andersen perturbation theory, leads to an EOS that takes force field parameters as input and reproduces simulation results for Vapor-Liquid Equilibria (VLE) calculations. For example, saturated liquid density and vapor pressure of n-alkanes ranging from methane to dodecane deviate from those of the Transferable Potential for Phase Equilibria (TraPPE) force field by about 0.8% and 4%, respectively. Similar agreement between simulation and theory is obtained for critical properties and second virial coefficient. The EOS also reproduces simulation data of mixtures with about 5% deviation in bubble point pressure. Extension to inhomogeneous systems and united-atom site types beyond those used in description of n-alkanes will be addressed in succeeding papers.
Taylor, DeCarlos E
2013-04-25
The dimer potential energy surface (PES) of 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) has been explored using symmetry adapted perturbation theory based on a Kohn-Sham density functional theory description of the monomers [SAPT(DFT)]. An intermolecular potential energy function was parametrized using a grid of 880 ab initio SAPT(DFT) dimer interaction energies, and the function was used to identify stationary points on the SAPT(DFT) dimer PES. It is shown that there exists a variety of minima with a range of bonding configurations and ab initio analyses of the interaction energy components, along with radial cross sections of the PES near each minimum, are presented. Results of isothermal-isostress molecular dynamics simulations are reported, and the simulated structure, thermal expansion, sublimation enthalpy, and bulk modulus of the TATB crystal, based on the SAPT(DFT) interaction potential, are in good agreement with experiment. PMID:23565605
Adaptation Strategies in Perturbed /s/
ERIC Educational Resources Information Center
Brunner, Jana; Hoole, Phil; Perrier, Pascal
2011-01-01
The purpose of this work is to investigate the role of three articulatory parameters (tongue position, jaw position and tongue grooving) in the production of /s/. Six normal speakers' speech was perturbed by a palatal prosthesis. The fricative was recorded acoustically and through electromagnetic articulography in four conditions: (1) unperturbed,…
Quantum field perturbation theory revisited
NASA Astrophysics Data System (ADS)
Matone, Marco
2016-03-01
Schwinger's formalism in quantum field theory can be easily implemented in the case of scalar theories in D dimension with exponential interactions, such as μDexp (α ϕ ). In particular, we use the relation exp (α δ/δ J (x ) )exp (-Z0[J ])=exp (-Z0[J +αx]) with J the external source, and αx(y )=α δ (y -x ). Such a shift is strictly related to the normal ordering of exp (α ϕ ) and to a scaling relation which follows by renormalizing μ . Next, we derive a new formulation of perturbation theory for the potentials V (ϕ )=λ/n ! :ϕn: , using the generating functional associated to :exp (α ϕ ):. The Δ (0 )-terms related to the normal ordering are absorbed at once. The functional derivatives with respect to J to compute the generating functional are replaced by ordinary derivatives with respect to auxiliary parameters. We focus on scalar theories, but the method is general and similar investigations extend to other theories.
Lao, Ka Un; Herbert, John M.
2014-01-28
The performance of second-order symmetry-adapted perturbation theory (SAPT) calculations using Kohn-Sham (KS) orbitals is evaluated against benchmark results for intermolecular interactions. Unlike previous studies of this “SAPT(KS)” methodology, the present study uses non-empirically tuned long-range corrected (LRC) functionals for the monomers. The proper v{sub xc} (r)→0 asymptotic limit is achieved by tuning the range separation parameter in order to satisfy the condition that the highest occupied KS energy level equals minus the molecule's ionization energy, for each monomer unit. Tests for He{sub 2}, Ne{sub 2}, and the S22 and S66 data sets reveal that this condition is important for accurate prediction of the non-dispersion components of the energy, although errors in SAPT(KS) dispersion energies remain unacceptably large. In conjunction with an empirical dispersion potential, however, the SAPT(KS) method affords good results for S22 and S66, and also accurately predicts the whole potential energy curve for the sandwich isomer of the benzene dimer. Tuned LRC functionals represent an attractive alternative to other asymptotic corrections that have been employed in density-functional-based SAPT calculations, and we recommend the use of tuned LRC functionals in both coupled-perturbed SAPT(DFT) calculations and dispersion-corrected SAPT(KS) calculations.
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-09-07
In Paper I [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 139(23), 234104 (2013)], we showed that how a third-order Weeks–Chandler–Anderson (WCA) Thermodynamic Perturbation Theory and molecular simulation can be integrated to characterize the repulsive and dispersive contributions to the Helmholtz free energy for realistic molecular conformations. To this end, we focused on n-alkanes to develop a theory for fused and soft chains. In Paper II [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 141(2), 024708 (2014)], we adapted the classical Density Functional Theory and studied the microstructure of the realistic molecular fluids in confined geometries and vapor-liquid interfaces. We demonstrated that a detailed consistency between molecular simulation and theory can be achieved for both bulk and inhomogeneous phases. In this paper, we extend the methodology to molecules with partial charges such as carbon dioxide, water, 1-alkanols, nitriles, and ethers. We show that the electrostatic interactions can be captured via an effective association potential in the framework of Statistical Associating Fluid Theory (SAFT). Implementation of the resulting association contribution in assessing the properties of these molecules at confined geometries and interfaces presents satisfactory agreement with molecular simulation and experimental data. For example, the predicted surface tension deviates less than 4% comparing to full potential simulations. Also, the theory, referred to as SAFT-γ WCA, is able to reproduce the specific orientation of hydrophilic head and hydrophobic tail of 1-alkanols at the vapor-liquid interface of water.
NASA Astrophysics Data System (ADS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-09-01
In Paper I [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 139(23), 234104 (2013)], we showed that how a third-order Weeks-Chandler-Anderson (WCA) Thermodynamic Perturbation Theory and molecular simulation can be integrated to characterize the repulsive and dispersive contributions to the Helmholtz free energy for realistic molecular conformations. To this end, we focused on n-alkanes to develop a theory for fused and soft chains. In Paper II [A. F. Ghobadi and J. R. Elliott, J. Chem. Phys. 141(2), 024708 (2014)], we adapted the classical Density Functional Theory and studied the microstructure of the realistic molecular fluids in confined geometries and vapor-liquid interfaces. We demonstrated that a detailed consistency between molecular simulation and theory can be achieved for both bulk and inhomogeneous phases. In this paper, we extend the methodology to molecules with partial charges such as carbon dioxide, water, 1-alkanols, nitriles, and ethers. We show that the electrostatic interactions can be captured via an effective association potential in the framework of Statistical Associating Fluid Theory (SAFT). Implementation of the resulting association contribution in assessing the properties of these molecules at confined geometries and interfaces presents satisfactory agreement with molecular simulation and experimental data. For example, the predicted surface tension deviates less than 4% comparing to full potential simulations. Also, the theory, referred to as SAFT-γ WCA, is able to reproduce the specific orientation of hydrophilic head and hydrophobic tail of 1-alkanols at the vapor-liquid interface of water.
Geometric Hamiltonian structures and perturbation theory
Omohundro, S.
1984-08-01
We have been engaged in a program of investigating the Hamiltonian structure of the various perturbation theories used in practice. We describe the geometry of a Hamiltonian structure for non-singular perturbation theory applied to Hamiltonian systems on symplectic manifolds and the connection with singular perturbation techniques based on the method of averaging.
"Phonon" scattering beyond perturbation theory
NASA Astrophysics Data System (ADS)
Qiu, WuJie; Ke, XueZhi; Xi, LiLi; Wu, LiHua; Yang, Jiong; Zhang, WenQing
2016-02-01
Searching and designing materials with intrinsically low lattice thermal conductivity (LTC) have attracted extensive consideration in thermoelectrics and thermal management community. The concept of part-crystalline part-liquid state, or even part-crystalline part-amorphous state, has recently been proposed to describe the exotic structure of materials with chemical- bond hierarchy, in which a set of atoms is weakly bonded to the rest species while the other sublattices retain relatively strong rigidity. The whole system inherently manifests the coexistence of rigid crystalline sublattices and fluctuating noncrystalline substructures. Representative materials in the unusual state can be classified into two categories, i.e., caged and non-caged ones. LTCs in both systems deviate from the traditional T -1 relationship ( T, the absolute temperature), which can hardly be described by small-parameter-based perturbation approaches. Beyond the classical perturbation theory, an extra rattling-like scattering should be considered to interpret the liquid-like and sublattice-amorphization-induced heat transport. Such a kind of compounds could be promising high-performance thermoelectric materials, due to the extremely low LTCs. Other physical properties for these part-crystalline substances should also exhibit certain novelty and deserve further exploration.
Non-Perturbative Field Theories.
NASA Astrophysics Data System (ADS)
Stephenson, David
Available from UMI in association with The British Library. Requires signed TDF. Some non-perturbative aspects of field theories are studied by applying lattice gauge theory techniques. The low-lying hadronic mass spectrum is calculated numerically using quenched lattice quantum chromodynamics. The results of large numerical simulations performed on a distributed array processor are presented and analysed. Particular emphasis is stressed upon the understanding of systematic and statistical errors in the calculation. In addition, the pion decay constant and the chiral condensate are evaluated. An attempt is made to relate the numerical findings to the experimentally measured quantities. A pioneering attempt to understand Yukawa couplings is discussed. A toy Fermion-Higgs system is studied numerically on a transputer array. Dynamical fermions are included in the investigation of the behavior of the system over a wide range of Yukawa couplings. A phase diagram is found for the model which shows evidence of spontaneous chiral symmetry breaking transitions. Extensions of the model are discussed together some speculations concerning the behaviour of Yukawa couplings in general. The possibility of using the lattice as a model for space-time is investigated by studying the propagation of particles on a fractal lattice. In addition, the use of truncated fractals as novel regulators is studied numerically in the hope that the problem of fermion doubling will be alleviated.
Adaptation to transient postural perturbations
NASA Technical Reports Server (NTRS)
Andres, Robert O.
1992-01-01
This research was first proposed in May, 1986, to focus on some of the problems encountered in the analysis of postural responses gathered from crewmembers. The ultimate driving force behind this line of research was the desire to treat, predict, or explain 'Space Adaptation Syndrome' (SAS) and hence circumvent any adverse effects of space motion sickness on crewmember performance. The aim of this project was to develop an easily implemented analysis of the transient responses to platform translation that can be elicited with a protocol designed to force sensorimotor reorganization, utilizing statistically reliable criterion measures. This report will present: (1) a summary of the activity that took place in each of the three funded years of the project; (2) discussion of experimental results and their implications for future research; and (3) a list of presentations and publications resulting from this project.
Tan, Samuel Y S; Izgorodina, Ekaterina I
2016-06-14
The effective fragment potential (EFP) method that decomposes the interaction energy as a sum of the five fundamental forces-electrostatic, exchange-repulsion, polarization, dispersion, and charge transfer-was applied to a large test set of ionic liquid ion pairs and compared against the state-of-the-art method, Symmetry-Adapted Perturbation Theory (SAPT). The ion pairs include imidazolium and pyrrolidinium cations combined with anions that are routinely used in the field of ionic liquids. The aug-cc-pVDZ, aug-cc-pVTZ, and 6-311++G(d,p) basis sets were used for EFP, while SAPT2+3/aug-cc-pVDZ provided the benchmark energies. Differences between the two methods were found to be large, and strongly dependent on the anion type. For the aug-cc-pVTZ basis set, which produced the least errors, average relative errors were between 2.3% and 18.4% for pyrrolidinium ion pairs and between 2.1% and 27.7% for imidazolium ion pairs for each individual energetic component (excluding charge transfer), as well as the total interaction energy. Charge transfer gave the largest relative errors: 56% and 63% on average for pyrrolidinium- and imidazolium-based ion pairs, respectively. Scaling of the EFP components against SAPT2+3 showed improvement for polarization (induction) and dispersion terms, thus indicating potential for the development of cost-effective alternatives for intermolecular induction and dispersion potentials for ionic liquids. PMID:27116302
Perturbative theory for Brownian vortexes
NASA Astrophysics Data System (ADS)
Moyses, Henrique W.; Bauer, Ross O.; Grosberg, Alexander Y.; Grier, David G.
2015-06-01
Brownian vortexes are stochastic machines that use static nonconservative force fields to bias random thermal fluctuations into steadily circulating currents. The archetype for this class of systems is a colloidal sphere in an optical tweezer. Trapped near the focus of a strongly converging beam of light, the particle is displaced by random thermal kicks into the nonconservative part of the optical force field arising from radiation pressure, which then biases its diffusion. Assuming the particle remains localized within the trap, its time-averaged trajectory traces out a toroidal vortex. Unlike trivial Brownian vortexes, such as the biased Brownian pendulum, which circulate preferentially in the direction of the bias, the general Brownian vortex can change direction and even topology in response to temperature changes. Here we introduce a theory based on a perturbative expansion of the Fokker-Planck equation for weak nonconservative driving. The first-order solution takes the form of a modified Boltzmann relation and accounts for the rich phenomenology observed in experiments on micrometer-scale colloidal spheres in optical tweezers.
Chiral perturbation theory with nucleons
Meissner, U.G.
1991-09-01
I review the constraints posed on the interactions of pions, nucleons and photons by the spontaneously broken chiral symmetry of QCD. The framework to perform these calculations, chiral perturbation theory, is briefly discussed in the meson sector. The method is a simultaneous expansion of the Greens functions in powers of external moments and quark masses around the massless case, the chiral limit. To perform this expansion, use is made of a phenomenological Lagrangian which encodes the Ward-identities and pertinent symmetries of QCD. The concept of chiral power counting is introduced. The main part of the lectures of consists in describing how to include baryons (nucleons) and how the chiral structure is modified by the fact that the nucleon mass in the chiral limit does not vanish. Particular emphasis is put on working out applications to show the strengths and limitations of the methods. Some processes which are discussed are threshold photopion production, low-energy compton scattering off nucleons, {pi}N scattering and the {sigma}-term. The implications of the broken chiral symmetry on the nuclear forces are briefly described. An alternative approach, in which the baryons are treated as very heavy fields, is touched upon.
Perturbative theory for Brownian vortexes.
Moyses, Henrique W; Bauer, Ross O; Grosberg, Alexander Y; Grier, David G
2015-06-01
Brownian vortexes are stochastic machines that use static nonconservative force fields to bias random thermal fluctuations into steadily circulating currents. The archetype for this class of systems is a colloidal sphere in an optical tweezer. Trapped near the focus of a strongly converging beam of light, the particle is displaced by random thermal kicks into the nonconservative part of the optical force field arising from radiation pressure, which then biases its diffusion. Assuming the particle remains localized within the trap, its time-averaged trajectory traces out a toroidal vortex. Unlike trivial Brownian vortexes, such as the biased Brownian pendulum, which circulate preferentially in the direction of the bias, the general Brownian vortex can change direction and even topology in response to temperature changes. Here we introduce a theory based on a perturbative expansion of the Fokker-Planck equation for weak nonconservative driving. The first-order solution takes the form of a modified Boltzmann relation and accounts for the rich phenomenology observed in experiments on micrometer-scale colloidal spheres in optical tweezers. PMID:26172698
Perturbation theory in light-cone quantization
Langnau, A.
1992-01-01
A thorough investigation of light-cone properties which are characteristic for higher dimensions is very important. The easiest way of addressing these issues is by analyzing the perturbative structure of light-cone field theories first. Perturbative studies cannot be substituted for an analysis of problems related to a nonperturbative approach. However, in order to lay down groundwork for upcoming nonperturbative studies, it is indispensable to validate the renormalization methods at the perturbative level, i.e., to gain control over the perturbative treatment first. A clear understanding of divergences in perturbation theory, as well as their numerical treatment, is a necessary first step towards formulating such a program. The first objective of this dissertation is to clarify this issue, at least in second and fourth-order in perturbation theory. The work in this dissertation can provide guidance for the choice of counterterms in Discrete Light-Cone Quantization or the Tamm-Dancoff approach. A second objective of this work is the study of light-cone perturbation theory as a competitive tool for conducting perturbative Feynman diagram calculations. Feynman perturbation theory has become the most practical tool for computing cross sections in high energy physics and other physical properties of field theory. Although this standard covariant method has been applied to a great range of problems, computations beyond one-loop corrections are very difficult. Because of the algebraic complexity of the Feynman calculations in higher-order perturbation theory, it is desirable to automatize Feynman diagram calculations so that algebraic manipulation programs can carry out almost the entire calculation. This thesis presents a step in this direction. The technique we are elaborating on here is known as light-cone perturbation theory.
Scalar Quantum Electrodynamics: Perturbation Theory and Beyond
Bashir, A.; Gutierrez-Guerrero, L. X.; Concha-Sanchez, Y.
2006-09-25
In this article, we calculate scalar propagator in arbitrary dimensions and gauge and the three-point scalar-photon vertex in arbitrary dimensions and Feynman gauge, both at the one loop level. We also discuss constraints on their non perturbative structure imposed by requirements of gauge invariance and perturbation theory.
Degenerate Open Shell Density Perturbation Theory
NASA Astrophysics Data System (ADS)
Palenik, Mark; Dunlap, Brett
The density perturbation theory (DPT) methodology we have developed applies the Hohenberg-Kohn theorem to perturbations in density functional theory. At each order, the energy is directly minimized with respect to the density at all lower orders. The difference between the perturbed and unperturbed densities is expanded in terms of a finite number of basis functions, and a single matrix inversion in this space reduces the complexity of the problem to that of non-interacting perturbation theory. For open-shell systems with symmetry, however, the situation becomes more complex. Typically, the perturbation will break the symmetry leading to a zeroth-order shift in the Kohn-Sham potential. Because the symmetry breaking is independent of the strength of the perturbation, the mapping from the initial to the perturbed KS potential is discontinuous and techniques from perturbation theory for noninteracting particles fail. We describe a rigorous formulation of DPT for use in systems that display an initial degeneracy, such as atoms and Fe55Cp*12 clusters and present initial calculations on these systems.
Non Perturbative Aspects of Field Theory
Bashir, A.
2009-04-20
For any quantum field theory (QFT), there exists a set of Schwinger-Dyson equations (SDE) for all its Green functions. However, it is not always straight forward to extract quantitatively exact physical information from this set of equations, especially in the non perturbative regime. The situation becomes increasingly complex with growing number of external legs. I give a qualitative account of the hunt for the non perturbative Green functions in gauge theories.
NASA Astrophysics Data System (ADS)
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-07-01
In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of "statistical associating fluid theory" that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH2 and CH3 and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ˜2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ˜1% from simulation data while the theory reproduces the excess
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2014-07-14
In this work, a new classical density functional theory is developed for group-contribution equations of state (EOS). Details of implementation are demonstrated for the recently-developed SAFT-γ WCA EOS and selective applications are studied for confined fluids and vapor-liquid interfaces. The acronym WCA (Weeks-Chandler-Andersen) refers to the characterization of the reference part of the third-order thermodynamic perturbation theory applied in formulating the EOS. SAFT-γ refers to the particular form of “statistical associating fluid theory” that is applied to the fused-sphere, heteronuclear, united-atom molecular models of interest. For the monomer term, the modified fundamental measure theory is extended to WCA-spheres. A new chain functional is also introduced for fused and soft heteronuclear chains. The attractive interactions are taken into account by considering the structure of the fluid, thus elevating the theory beyond the mean field approximation. The fluctuations of energy are also included via a non-local third-order perturbation theory. The theory includes resolution of the density profiles of individual groups such as CH{sub 2} and CH{sub 3} and satisfies stoichiometric constraints for the density profiles. New molecular simulations are conducted to demonstrate the accuracy of each Helmholtz free energy contribution in reproducing the microstructure of inhomogeneous systems at the united-atom level of coarse graining. At each stage, comparisons are made to assess where the present theory stands relative to the current state of the art for studying inhomogeneous fluids. Overall, it is shown that the characteristic features of real molecular fluids are captured both qualitatively and quantitatively. For example, the average pore density deviates ∼2% from simulation data for attractive pentadecane in a 2-nm slit pore. Another example is the surface tension of ethane/heptane mixture, which deviates ∼1% from simulation data while the theory
Supersymmetry restoration in superstring perturbation theory
NASA Astrophysics Data System (ADS)
Sen, Ashoke
2015-12-01
Superstring perturbation theory based on the 1PI effective theory approach has been useful for addressing the problem of mass renormalization and vacuum shift. We derive Ward identities associated with space-time supersymmetry transformation in this approach. This leads to a proof of the equality of renormalized masses of bosons and fermions and identities relating fermionic amplitudes to bosonic amplitudes after taking into account the effect of mass renormalization. This also relates unbroken supersymmetry to a given order in perturbation theory to absence of tadpoles of massless scalars to higher order. The results are valid at the perturbative vacuum as well as in the shifted vacuum when the latter describes the correct ground state of the theory. We apply this to SO(32) heterotic string theory on Calabi-Yau 3-folds where a one loop Fayet-Iliopoulos term apparently breaks supersymmetry at one loop, but analysis of the low energy effective field theory indicates that there is a nearby vacuum where supersymmetry is restored. We explicitly prove that the perturbative amplitudes of this theory around the shifted vacuum indeed satisfy the Ward identities associated with unbroken supersymmetry. We also test the general arguments by explicitly verifying the equality of bosonic and fermionic masses at one loop order in the shifted vacuum, and the appearance of two loop dilaton tadpole in the perturbative vacuum where supersymmetry is expected to be broken.
Cohomology Methods in Causal Perturbation Theory
NASA Astrophysics Data System (ADS)
Grigore, D. R.
2010-01-01
Various problems in perturbation theory of (quantum) gauge models can be rephrased in the language of cohomology theory. This was already noticed in the functional formulation of perturbative gauge theories. Causal perturbation theory is a fully quantum approach: is works only with the chronological products which are defined as operator-valued distributions in the Fock space of the model. The use of causal perturbation theory leads to similar cohomology problems; the main difference with respect to the functional methods comes from the fact that the gauge transformation of the causal approach is, essentially, the linear part of the non-linear BRST transformation. Using these methods it is possible to give a nice determination of the interaction Lagrangians for gauge models (Yang-Mills and gravitation in the linear approximation); one obtains with this method the unicity of the interaction Lagrangian up to trivial terms. The case of quantum gravity is highly non-trivial and can be generalized with this method to the massive graviton case. Going to higher orders of perturbation theory one finds quantum anomalies. Again the cohomological methods can be used to determine the generic form of these anomalies. Finally, one can investigate the arbitrariness of the chronological products in higher orders and reduce this problem to cohomology methods also.
Articulatory and acoustic adaptation to palatal perturbation.
Thibeault, Mélanie; Ménard, Lucie; Baum, Shari R; Richard, Gabrielle; McFarland, David H
2011-04-01
Previous work has established that speakers have difficulty making rapid compensatory adjustments in consonant production (especially in fricatives) for structural perturbations of the vocal tract induced by artificial palates with thicker-than-normal alveolar regions. The present study used electromagnetic articulography and simultaneous acoustic recordings to estimate tongue configurations during production of [s š t k] in the presence of a thin and a thick palate, before and after a practice period. Ten native speakers of English participated in the study. In keeping with previous acoustic studies, fricatives were more affected by the palate than were the stops. The thick palate lowered the center of gravity and the jaw was lower and the tongue moved further backwards and downwards. Center of gravity measures revealed complete adaptation after training, and with practice, subjects' decreased interlabial distance. The fact that adaptation effects were found for [k], which are produced with an articulatory gesture not directly impeded by the palatal perturbation, suggests a more global sensorimotor recalibration that extends beyond the specific articulatory target. PMID:21476667
Covariant generalization of cosmological perturbation theory
Enqvist, Kari; Hoegdahl, Janne; Nurmi, Sami; Vernizzi, Filippo
2007-01-15
We present an approach to cosmological perturbations based on a covariant perturbative expansion between two worldlines in the real inhomogeneous universe. As an application, at an arbitrary order we define an exact scalar quantity which describes the inhomogeneities in the number of e-folds on uniform density hypersurfaces and which is conserved on all scales for a barotropic ideal fluid. We derive a compact form for its conservation equation at all orders and assign it a simple physical interpretation. To make a comparison with the standard perturbation theory, we develop a method to construct gauge-invariant quantities in a coordinate system at arbitrary order, which we apply to derive the form of the nth order perturbation in the number of e-folds on uniform density hypersurfaces and its exact evolution equation. On large scales, this provides the gauge-invariant expression for the curvature perturbation on uniform density hypersurfaces and its evolution equation at any order.
Conservative perturbation theory for nonconservative systems
NASA Astrophysics Data System (ADS)
Shah, Tirth; Chattopadhyay, Rohitashwa; Vaidya, Kedar; Chakraborty, Sagar
2015-12-01
In this paper, we show how to use canonical perturbation theory for dissipative dynamical systems capable of showing limit-cycle oscillations. Thus, our work surmounts the hitherto perceived barrier for canonical perturbation theory that it can be applied only to a class of conservative systems, viz., Hamiltonian systems. In the process, we also find Hamiltonian structure for an important subset of Liénard system—a paradigmatic system for modeling isolated and asymptotic oscillatory state. We discuss the possibility of extending our method to encompass an even wider range of nonconservative systems.
Non-hard sphere thermodynamic perturbation theory
NASA Astrophysics Data System (ADS)
Zhou, Shiqi
2011-08-01
A non-hard sphere (HS) perturbation scheme, recently advanced by the present author, is elaborated for several technical matters, which are key mathematical details for implementation of the non-HS perturbation scheme in a coupling parameter expansion (CPE) thermodynamic perturbation framework. NVT-Monte Carlo simulation is carried out for a generalized Lennard-Jones (LJ) 2n-n potential to obtain routine thermodynamic quantities such as excess internal energy, pressure, excess chemical potential, excess Helmholtz free energy, and excess constant volume heat capacity. Then, these new simulation data, and available simulation data in literatures about a hard core attractive Yukawa fluid and a Sutherland fluid, are used to test the non-HS CPE 3rd-order thermodynamic perturbation theory (TPT) and give a comparison between the non-HS CPE 3rd-order TPT and other theoretical approaches. It is indicated that the non-HS CPE 3rd-order TPT is superior to other traditional TPT such as van der Waals/HS (vdW/HS), perturbation theory 2 (PT2)/HS, and vdW/Yukawa (vdW/Y) theory or analytical equation of state such as mean spherical approximation (MSA)-equation of state and is at least comparable to several currently the most accurate Ornstein-Zernike integral equation theories. It is discovered that three technical issues, i.e., opening up new bridge function approximation for the reference potential, choosing proper reference potential, and/or using proper thermodynamic route for calculation of fex - ref, chiefly decide the quality of the non-HS CPE TPT. Considering that the non-HS perturbation scheme applies for a wide variety of model fluids, and its implementation in the CPE thermodynamic perturbation framework is amenable to high-order truncation, the non-HS CPE 3rd-order or higher order TPT will be more promising once the above-mentioned three technological advances are established.
Aharonov-Bohm Effect in Perturbation Theory.
ERIC Educational Resources Information Center
Purcell, Kay M.; Henneberger, Walter C.
1978-01-01
The Aharonov-Bohn effect is obtained in first-order perturbation theory. It is shown that the effect occurs only when the initial state is a superposition of eigenstates of Lz corresponding to eigenvalues having opposite sign. (Author/GA)
Partially Quenched Chiral Perturbation Theory to NNLO
Laehde, Timo; Bijnens, Johan; Danielsson, Niclas
2006-07-11
This paper summarizes the recent calculations of the masses and decay constants of the pseudoscalar mesons at the two-loop level, or NNLO, in Partially Quenched Chiral Perturbation theory (PQ{chi}PT). Possible applications include chiral extrapolations of Lattice QCD, as well as the determination of the low-energy constants (LEC:s) of QCD.
Staggered heavy baryon chiral perturbation theory
NASA Astrophysics Data System (ADS)
Bailey, Jon A.
2008-03-01
Although taste violations significantly affect the results of staggered calculations of pseudoscalar and heavy-light mesonic quantities, those entering staggered calculations of baryonic quantities have not been quantified. Here I develop staggered chiral perturbation theory in the light-quark baryon sector by mapping the Symanzik action into heavy baryon chiral perturbation theory. For 2+1 dynamical quark flavors, the masses of flavor-symmetric nucleons are calculated to third order in partially quenched and fully dynamical staggered chiral perturbation theory. To this order the expansion includes the leading chiral logarithms, which come from loops with virtual decuplet-like states, as well as terms of O(mπ3), which come from loops with virtual octet-like states. Taste violations enter through the meson propagators in loops and tree-level terms of O(a2). The pattern of taste symmetry breaking and the resulting degeneracies and mixings are discussed in detail. The resulting chiral forms are appropriate to lattice results obtained with operators already in use and could be used to study the restoration of taste symmetry in the continuum limit. I assume that the fourth root of the fermion determinant can be incorporated in staggered chiral perturbation theory using the replica method.
Perturbative double field theory on general backgrounds
NASA Astrophysics Data System (ADS)
Hohm, Olaf; Marques, Diego
2016-01-01
We develop the perturbation theory of double field theory around arbitrary solutions of its field equations. The exact gauge transformations are written in a manifestly background covariant way and contain at most quadratic terms in the field fluctuations. We expand the generalized curvature scalar to cubic order in fluctuations and thereby determine the cubic action in a manifestly background covariant form. As a first application we specialize this theory to group manifold backgrounds, such as S U (2 )≃S3 with H -flux. In the full string theory this corresponds to a Wess-Zumino-Witten background CFT. Starting from closed string field theory, the cubic action around such backgrounds has been computed before by Blumenhagen, Hassler, and Lüst. We establish precise agreement with the cubic action derived from double field theory. This result confirms that double field theory is applicable to arbitrary curved background solutions, disproving assertions in the literature to the contrary.
Geometric perturbation theory and plasma physics
Omohundro, S.M.
1985-04-04
Modern differential geometric techniques are used to unify the physical asymptotics underlying mechanics, wave theory and statistical mechanics. The approach gives new insights into the structure of physical theories and is suited to the needs of modern large-scale computer simulation and symbol manipulation systems. A coordinate-free formulation of non-singular perturbation theory is given, from which a new Hamiltonian perturbation structure is derived and related to the unperturbed structure. The theory of perturbations in the presence of symmetry is developed, and the method of averaging is related to reduction by a circle group action. The pseudo-forces and magnetic Poisson bracket terms due to reduction are given a natural asymptotic interpretation. Similar terms due to changing reference frames are related to the method of variation of parameters, which is also given a Hamiltonian formulation. These methods are used to answer a question about nearly periodic systems. The answer leads to a new secular perturbation theory that contains no ad hoc elements. Eikonal wave theory is given a Hamiltonian formulation that generalizes Whitham's Lagrangian approach. The evolution of wave action density on ray phase space is given a Hamiltonian structure using a Lie-Poisson bracket. The relationship between dissipative and Hamiltonian systems is discussed. A new type of attractor is defined which attracts both forward and backward in time and is shown to occur in infinite-dimensional Hamiltonian systems with dissipative behavior. The theory of Smale horseshoes is applied to gyromotion in the neighborhood of a magnetic field reversal and the phenomenon of reinsertion in area-preserving horseshoes is introduced. The central limit theorem is proved by renormalization group techniques. A natural symplectic structure for thermodynamics is shown to arise asymptotically from the maximum entropy formalism.
Degenerate adiabatic perturbation theory: Foundations and applications
NASA Astrophysics Data System (ADS)
Rigolin, Gustavo; Ortiz, Gerardo
2014-08-01
We present details and expand on the framework leading to the recently introduced degenerate adiabatic perturbation theory [Phys. Rev. Lett. 104, 170406 (2010), 10.1103/PhysRevLett.104.170406], and on the formulation of the degenerate adiabatic theorem, along with its necessary and sufficient conditions [given in Phys. Rev. A 85, 062111 (2012), 10.1103/PhysRevA.85.062111]. We start with the adiabatic approximation for degenerate Hamiltonians that paves the way to a clear and rigorous statement of the associated degenerate adiabatic theorem, where the non-Abelian geometric phase (Wilczek-Zee phase) plays a central role to its quantitative formulation. We then describe the degenerate adiabatic perturbation theory, whose zeroth-order term is the degenerate adiabatic approximation, in its full generality. The parameter in the perturbative power-series expansion of the time-dependent wave function is directly associated to the inverse of the time it takes to drive the system from its initial to its final state. With the aid of the degenerate adiabatic perturbation theory we obtain rigorous necessary and sufficient conditions for the validity of the adiabatic theorem of quantum mechanics. Finally, to illustrate the power and wide scope of the methodology, we apply the framework to a degenerate Hamiltonian, whose closed-form time-dependent wave function is derived exactly, and also to other nonexactly solvable Hamiltonians whose solutions are numerically computed.
Continuum methods in lattice perturbation theory
Becher, Thomas G
2002-11-15
We show how methods of continuum perturbation theory can be used to simplify perturbative lattice calculations. We use the technique of asymptotic expansions to expand lattice loop integrals around the continuum limit. After the expansion, all nontrivial dependence on momenta and masses is encoded in continuum loop integrals and the only genuine lattice integrals left are tadpole integrals. Using integration-by-parts relations all of these can be expressed in terms of a small number of master integrals. Four master integrals are needed for bosonic one loop integrals, sixteen in QCD with Wilson or staggered fermions.
Mao, Yuezhi; Horn, Paul R; Mardirossian, Narbe; Head-Gordon, Teresa; Skylaris, Chris-Kriton; Head-Gordon, Martin
2016-07-28
Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set produces <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals. PMID:27475350
NASA Astrophysics Data System (ADS)
Mao, Yuezhi; Horn, Paul R.; Mardirossian, Narbe; Head-Gordon, Teresa; Skylaris, Chris-Kriton; Head-Gordon, Martin
2016-07-01
Recently developed density functionals have good accuracy for both thermochemistry (TC) and non-covalent interactions (NC) if very large atomic orbital basis sets are used. To approach the basis set limit with potentially lower computational cost, a new self-consistent field (SCF) scheme is presented that employs minimal adaptive basis (MAB) functions. The MAB functions are optimized on each atomic site by minimizing a surrogate function. High accuracy is obtained by applying a perturbative correction (PC) to the MAB calculation, similar to dual basis approaches. Compared to exact SCF results, using this MAB-SCF (PC) approach with the same large target basis set produces <0.15 kcal/mol root-mean-square deviations for most of the tested TC datasets, and <0.1 kcal/mol for most of the NC datasets. The performance of density functionals near the basis set limit can be even better reproduced. With further improvement to its implementation, MAB-SCF (PC) is a promising lower-cost substitute for conventional large-basis calculations as a method to approach the basis set limit of modern density functionals.
Using Lagrangian perturbation theory for precision cosmology
Sugiyama, Naonori S.
2014-06-10
We explore the Lagrangian perturbation theory (LPT) at one-loop order with Gaussian initial conditions. We present an expansion method to approximately compute the power spectrum LPT. Our approximate solution has good convergence in the series expansion and enables us to compute the power spectrum in LPT accurately and quickly. Non-linear corrections in this theory naturally satisfy the law of conservation of mass because the relation between matter density and the displacement vector of dark matter corresponds to the conservation of mass. By matching the one-loop solution in LPT to the two-loop solution in standard perturbation theory, we present an approximate solution of the power spectrum which has higher order corrections than the two-loop order in standard perturbation theory with the conservation of mass satisfied. With this approximation, we can use LPT to compute a non-linear power spectrum without any free parameters, and this solution agrees with numerical simulations at k = 0.2 h Mpc{sup –1} and z = 0.35 to better than 2%.
Resummation Approach in QCD Analytic Perturbation Theory
NASA Astrophysics Data System (ADS)
Bakulev, Alexander P.; Potapova, Irina V.
2011-10-01
We discuss the resummation approach in QCD Analytic Perturbation Theory (APT). We start we a simple example of asymptotic ower series for a zero-dimensional analog of the scalar g φ model. Then we give a short historic preamble of APT and show that renormgroup improvement of the QCD perturbation theory dictates to use the Fractional APT (FAPT). After that we discuss the (F)PT resummation of nonpower series and provide the one-, two-, and three-loop resummation recipes. We show the results of applications of these recipes to the estimation of the Adler function D(Q) in the N=4 region of Q and of the Higgs-boson-decay width Γ(mH2) for M=100-180 GeV.
Tests of Chiral Perturbation Theory with COMPASS
Friedrich, Jan
2010-12-28
The COMPASS experiment at CERN studies with high precision pion-photon induced reactions on nuclear targets via the Primakoff effect. This offers the possibility to test chiral perturbation theory (ChPT) in various channels: Pion Compton scattering allows to clarify the longstanding question of the pion polarisabilities, single neutral pion production is related to the chiral anomaly, and for the two-pion production cross sections exist as yet untested ChPT predictions.
Perturbation Theory for Superfluid in Nonuniform Potential
NASA Astrophysics Data System (ADS)
Koshida, Shinji; Kato, Yusuke
2016-05-01
Perturbation theory of superfluid fraction in terms of nonuniform potential is constructed. We find that the coefficient of the leading term is determined by the dynamical structure factor or density fluctuation of the system. The results for the ideal Bose gas and the interacting Bose system with linear dispersion are consistent to implications from Landau's criterion. We also find that the superfluidity of Tomonaga-Luttinger liquid with K>2 is shown to be stable against nonuniform potential.
Dark matter dispersion tensor in perturbation theory
NASA Astrophysics Data System (ADS)
Aviles, Alejandro
2016-03-01
We compute the dark matter velocity dispersion tensor up to third order in perturbation theory using the Lagrangian formalism, revealing growing solutions at the third and higher orders. Our results are general and can be used for any other perturbative formalism. As an application, corrections to the matter power spectrum are calculated, and we find that some of them have the same structure as those in the effective field theory of large-scale structure, with "EFT-like" coefficients that grow quadratically with the linear growth function and are further suppressed by powers of the logarithmic linear growth factor f ; other corrections present additional k dependence. Due to the velocity dispersions, there exists a free-streaming scale that suppresses the whole 1-loop power spectrum. Furthermore, we find that as a consequence of the nonlinear evolution, the free-streaming length is shifted towards larger scales, wiping out more structure than that expected in linear theory. Therefore, we argue that the formalism developed here is better suited for a perturbation treatment of warm dark matter or neutrino clustering, where the velocity dispersion effects are well known to be important. We discuss implications related to the nature of dark matter.
Combining coupled cluster and perturbation theory
NASA Astrophysics Data System (ADS)
Nooijen, Marcel
1999-12-01
Single reference coupled cluster (CC) singles and doubles theory is combined with low-order perturbation theory (PT) to treat ground state electron correlation. Two variants of the general scheme are discussed that differ in the type of amplitudes that are approximated perturbatively and which are treated to infinite order. The combined CC/PT methods to include ground state correlation are merged with equation-of-motion (EOM) and similarity transformed EOM methods to describe excitation spectra of the highly correlated s-tetrazine, MnO4- and Ni(CO)4 systems. It is shown that the computationally efficient CC/PT schemes can reproduce full CCSD results even if perturbation theory by itself is a very poor approximation, as is the case for many transition metal compounds. In a second test CC/PT is applied to determine ground state equilibrium molecular structures and harmonic vibrational frequencies for a set of small molecules. Using either variant of CC/PT, full CCSD geometries are easily recovered, while vibrational frequencies can be more sensitive to details of the approximation.
Optimized Perturbation Theory:. Finite Temperature Applications
NASA Astrophysics Data System (ADS)
Pinto, Marcus Benghi
2001-09-01
We review the optimized perturbation theory (or linear δ-expansion) illustrating with an application to the anharmonic oscillator. We then apply the method to multi-field O(N1) × O(N2) scalar theories at high temperatures to investigate the possibility of inverse symmetry breaking (or symmetry non restoration). Our results support inverse symmetry breaking and reveal the possibility of other high temperature symmetry breaking patterns for which the last term in the breaking sequence is O(N1 - 1) × O(N2 - 1).
Perturbative quantum gravity in double field theory
NASA Astrophysics Data System (ADS)
Boels, Rutger H.; Horst, Christoph
2016-04-01
We study perturbative general relativity with a two-form and a dilaton using the double field theory formulation which features explicit index factorisation at the Lagrangian level. Explicit checks to known tree level results are performed. In a natural covariant gauge a ghost-like scalar which contributes even at tree level is shown to decouple consistently as required by perturbative unitarity. In addition, a lightcone gauge is explored which bypasses the problem altogether. Using this gauge to study BCFW on-shell recursion, we can show that most of the D-dimensional tree level S-matrix of the theory, including all pure graviton scattering amplitudes, is reproduced by the double field theory. More generally, we argue that the integrand may be reconstructed from its single cuts and provide limited evidence for off-shell cancellations in the Feynman graphs. As a straightforward application of the developed technology double field theory-like expressions for four field string corrections are derived.
Inflationary perturbation theory is geometrical optics in phase space
NASA Astrophysics Data System (ADS)
Seery, David; Mulryne, David J.; Frazer, Jonathan; Ribeiro, Raquel H.
2012-09-01
A pressing problem in comparing inflationary models with observation is the accurate calculation of correlation functions. One approach is to evolve them using ordinary differential equations ("transport equations"), analogous to the Schwinger-Dyson hierarchy of in-out quantum field theory. We extend this approach to the complete set of momentum space correlation functions. A formal solution can be obtained using raytracing techniques adapted from geometrical optics. We reformulate inflationary perturbation theory in this language, and show that raytracing reproduces the familiar "δN" Taylor expansion. Our method produces ordinary differential equations which allow the Taylor coefficients to be computed efficiently. We use raytracing methods to express the gauge transformation between field fluctuations and the curvature perturbation, ζ, in geometrical terms. Using these results we give a compact expression for the nonlinear gauge-transform part of fNL in terms of the principal curvatures of uniform energy-density hypersurfaces in field space.
Inflationary perturbation theory is geometrical optics in phase space
Seery, David; Frazer, Jonathan; Mulryne, David J.; Ribeiro, Raquel H. E-mail: D.Mulryne@qmul.ac.uk E-mail: R.Ribeiro@damtp.cam.ac.uk
2012-09-01
A pressing problem in comparing inflationary models with observation is the accurate calculation of correlation functions. One approach is to evolve them using ordinary differential equations ({sup t}ransport equations{sup )}, analogous to the Schwinger-Dyson hierarchy of in-out quantum field theory. We extend this approach to the complete set of momentum space correlation functions. A formal solution can be obtained using raytracing techniques adapted from geometrical optics. We reformulate inflationary perturbation theory in this language, and show that raytracing reproduces the familiar 'δN' Taylor expansion. Our method produces ordinary differential equations which allow the Taylor coefficients to be computed efficiently. We use raytracing methods to express the gauge transformation between field fluctuations and the curvature perturbation, ζ, in geometrical terms. Using these results we give a compact expression for the nonlinear gauge-transform part of f{sub NL} in terms of the principal curvatures of uniform energy-density hypersurfaces in field space.
Applications of partially quenched chiral perturbation theory
Golterman, M.F.; Leung, K.C.
1998-05-01
Partially quenched theories are theories in which the valence- and sea-quark masses are different. In this paper we calculate the nonanalytic one-loop corrections of some physical quantities: the chiral condensate, weak decay constants, Goldstone boson masses, B{sub K}, and the K{sup +}{r_arrow}{pi}{sup +}{pi}{sup 0} decay amplitude, using partially quenched chiral perturbation theory. Our results for weak decay constants and masses agree with, and generalize, results of previous work by Sharpe. We compare B{sub K} and the K{sup +} decay amplitude with their real-world values in some examples. For the latter quantity, two other systematic effects that plague lattice computations, namely, finite-volume effects and unphysical values of the quark masses and pion external momenta, are also considered. We find that typical one-loop corrections can be substantial. {copyright} {ital 1998} {ital The American Physical Society}
Tests of Chiral perturbation theory with COMPASS
NASA Astrophysics Data System (ADS)
Friedrich, Jan M.
2014-06-01
The COMPASS experiment at CERN accesses pion-photon reactions via the Primakoff effect., where high-energetic pions react with the quasi-real photon field surrounding the target nuclei. When a single real photon is produced, pion Compton scattering is accessed and from the measured cross-section shape, the pion polarisability is determined. The COMPASS measurement is in contradiction to the earlier dedicated measurements, and rather in agreement with the theoretical expectation from ChPT. In the same experimental data taking, reactions with neutral and charged pions in the final state are measured and analyzed in the context of chiral perturbation theory.
The onion method for multiple perturbation theory
NASA Astrophysics Data System (ADS)
Cross, R. J.
1988-04-01
We develop a method of successive approximations for molecular scattering theory. This consists of a recipe for removing from the Schrödinger equation, one by one, the wave functions of a set of approximate solutions. The radial wave function is expressed as a linear combination of the well-behaved and singular solutions of the first approximation, and a set of coupled differential equations is obtained for the coefficients of the approximate solutions. A similar set of coefficients is obtained for the next approximation, and the exact coefficients are expressed in terms of the approximate coefficients to yield a set of second-level coefficients. The process can be continued like pealing off the layers of an onion. At each stage the coupled differential equations for the coefficients is equivalent to the Schrödinger equation. Finally, one can either ignore the remaining coefficients or approximate the coupled equations by a simple perturbation theory.
Molecular cluster perturbation theory. I. Formalism
NASA Astrophysics Data System (ADS)
Byrd, Jason N.; Jindal, Nakul; Molt, Robert W., Jr.; Bartlett, Rodney J.; Sanders, Beverly A.; Lotrich, Victor F.
2015-11-01
We present second-order molecular cluster perturbation theory (MCPT(2)), a linear scaling methodology to calculate arbitrarily large systems with explicit calculation of individual wave functions in a coupled-cluster framework. This new MCPT(2) framework uses coupled-cluster perturbation theory and an expansion in terms of molecular dimer interactions to obtain molecular wave functions that are infinite order in both the electronic fluctuation operator and all possible dimer (and products of dimers) interactions. The MCPT(2) framework has been implemented in the new SIA/Aces4 parallel architecture, making use of the advanced dynamic memory control and fine-grained parallelism to perform very large explicit molecular cluster calculations. To illustrate the power of this method, we have computed energy shifts, lattice site dipole moments, and harmonic vibrational frequencies via explicit calculation of the bulk system for the polar and non-polar polymorphs of solid hydrogen fluoride. The explicit lattice size (without using any periodic boundary conditions) was expanded up to 1000 HF molecules, with 32,000 basis functions and 10,000 electrons. Our obtained HF lattice site dipole moments and harmonic vibrational frequencies agree well with the existing literature.
Multiloop calculations in perturbative quantum field theory
NASA Astrophysics Data System (ADS)
Blokland, Ian Richard
This thesis deals with high-precision calculations in perturbative quantum field theory. In conjunction with detailed experimental measurements, perturbative quantum field theory provides the quantitative framework with which much of modern particle physics is understood. The results of three new theoretical calculations are presented. The first is a definitive resolution of a recent controversy involving the interaction of a muon with a magnetic field. Specifically, the light-by-light scattering contribution to the anomalous magnetic moment of the muon is shown to be of positive sign, thereby decreasing the discrepancy between theory and experiment. Despite this adjustment to the theoretical prediction, the remaining discrepancy might be a subtle signature of new kinds of particles. The second calculation involves the energy levels of a bound state formed from two charged particles of arbitrary masses. By employing recently developed mass expansion techniques, new classes of solutions are obtained for problems in a field of particle physics with a very rich history. The third calculation provides an improved prediction for the decay of a top quark. In order to obtain this result, a large class of multiloop integrals has been solved for the first time. Top quark decay is just one member of a family of interesting physical processes to which these new results apply. Since specialized calculational techniques are essential ingredients in all three calculations, they are motivated and explained carefully in this thesis. These techniques, once automated with symbolic computational software, have recently opened avenues of solution to a wide variety of important problems in particle physics.
Gauge-invariant cosmological perturbation theory with seeds
Durrer, R. )
1990-10-15
Gauge-invariant cosmological perturbation theory is extended to handle perturbations induced by seeds. A calculation of the Sachs-Wolfe effect is presented. A second-order differential equation for the growth of density perturbations is derived and the perturbation of Liouville's equation for collisionless particles is also given. The results are illustrated by a simple analytic example of a single texture knot, where we calculate the induced perturbations of the energy of microwave photons, of baryonic matter, and of collisionless particles.
Adaptation to sensory-motor reflex perturbations is blind to the source of errors
Hudson, Todd E.; Landy, Michael S.
2012-01-01
In the study of visual-motor control, perhaps the most familiar findings involve adaptation to externally imposed movement errors. Theories of visual-motor adaptation based on optimal information processing suppose that the nervous system identifies the sources of errors to effect the most efficient adaptive response. We report two experiments using a novel perturbation based on stimulating a visually induced reflex in the reaching arm. Unlike adaptation to an external force, our method induces a perturbing reflex within the motor system itself, i.e., perturbing forces are self-generated. This novel method allows a test of the theory that error-source information is used to generate an optimal adaptive response. If the self-generated source of the visually-induced reflex perturbation is identified, the optimal response will be via reflex gain control. If the source is not identified, a compensatory force should be generated to counteract the reflex. Gain control is the optimal response to reflex perturbation, both because energy cost and movement errors are minimized. Energy is conserved because neither reflex-induced nor compensatory forces are generated. Precision is maximized because endpoint variance is proportional to force production. We find evidence against source-identified adaptation in both experiments, suggesting that sensory-motor information processing is not always optimal. PMID:22228797
Modified contour-improved perturbation theory
Cvetic, Gorazd; Loewe, Marcelo; Martinez, Cristian; Valenzuela, Cristian
2010-11-01
The semihadronic tau decay width allows a clean extraction of the strong coupling constant at low energies. We present a modification of the standard ''contour-improved'' method based on a derivative expansion of the Adler function. The new approach has some advantages compared to contour-improved perturbation theory. The renormalization scale dependence is weaker by more than a factor of 2 and the last term of the expansion is reduced by about 10%, while the renormalization scheme dependence remains approximately equal. The extracted QCD coupling at the tau mass scale is by 2% lower than the contour-improved value. We find {alpha}{sub s}(M{sub Z}{sup 2})=0.1211{+-}0.0010.
A new approach for second-order perturbation theory.
Tomlinson, David G; Asadchev, Andrey; Gordon, Mark S
2016-05-30
A new second-order perturbation theory (MP2) approach is presented for closed shell energy evaluations. The new algorithm has a significantly lower memory footprint, a lower FLOP (floating point operations) count, and a lower time to solution compared to previously implemented parallel MP2 methods in the GAMESS software package. Additionally, this algorithm features an adaptive approach for the disk/distributed memory storage of the MP2 amplitudes. The algorithm works well on a single workstation, small cluster, and large Cray cluster, and it allows one to perform large calculations with thousands of basis functions in a matter of hours on a single workstation. The same algorithm has been adapted for graphical processing unit (GPU) architecture. The performance of the new GPU algorithm is also discussed. © 2016 Wiley Periodicals, Inc. PMID:26940648
Flexoelectricity from density-functional perturbation theory
NASA Astrophysics Data System (ADS)
Stengel, Massimiliano
2013-11-01
We derive the complete flexoelectric tensor, including electronic and lattice-mediated effects, of an arbitrary insulator in terms of the microscopic linear response of the crystal to atomic displacements. The basic ingredient, which can be readily calculated from first principles in the framework of density-functional perturbation theory, is the quantum-mechanical probability current response to a long-wavelength acoustic phonon. Its second-order Taylor expansion in the wave vector q around the Γ (q=0) point in the Brillouin zone naturally yields the flexoelectric tensor. At order one in q we recover Martin's theory of piezoelectricity [Martin, Phys. Rev. B 5, 1607 (1972)], thus providing an alternative derivation thereof. To put our derivations on firm theoretical grounds, we perform a thorough analysis of the nonanalytic behavior of the dynamical matrix and other response functions in a vicinity of Γ. Based on this analysis, we find that there is an ambiguity in the specification of the “zero macroscopic field” condition in the flexoelectric case; such arbitrariness can be related to an analytic band-structure term, in close analogy to the theory of deformation potentials. As a by-product, we derive a rigorous generalization of the Cochran-Cowley formula [Cochran and Cowley, J. Phys. Chem. Solids 23, 447 (1962)] to higher orders in q. This can be of great utility in building reliable atomistic models of electromechanical phenomena, as well as for improving the accuracy of the calculation of phonon dispersion curves. Finally, we discuss the physical interpretation of the various contributions to the flexoelectric response, either in the static or dynamic regime, and we relate our findings to earlier theoretical works on the subject.
Non-perturbative String Theory from Water Waves
Iyer, Ramakrishnan; Johnson, Clifford V.; Pennington, Jeffrey S.; /SLAC
2012-06-14
We use a combination of a 't Hooft limit and numerical methods to find non-perturbative solutions of exactly solvable string theories, showing that perturbative solutions in different asymptotic regimes are connected by smooth interpolating functions. Our earlier perturbative work showed that a large class of minimal string theories arise as special limits of a Painleve IV hierarchy of string equations that can be derived by a similarity reduction of the dispersive water wave hierarchy of differential equations. The hierarchy of string equations contains new perturbative solutions, some of which were conjectured to be the type IIA and IIB string theories coupled to (4, 4k ? 2) superconformal minimal models of type (A, D). Our present paper shows that these new theories have smooth non-perturbative extensions. We also find evidence for putative new string theories that were not apparent in the perturbative analysis.
Parallelization of a multiconfigurational perturbation theory.
Vancoillie, Steven; Delcey, Mickaël G; Lindh, Roland; Vysotskiy, Victor; Malmqvist, Per-Åke; Veryazov, Valera
2013-08-15
In this work, we present a parallel approach to complete and restricted active space second-order perturbation theory, (CASPT2/RASPT2). We also make an assessment of the performance characteristics of its particular implementation in the Molcas quantum chemistry programming package. Parallel scaling is limited by memory and I/O bandwidth instead of available cores. Significant time savings for calculations on large and complex systems can be achieved by increasing the number of processes on a single machine, as long as memory bandwidth allows, or by using multiple nodes with a fast, low-latency interconnect. We found that parallel efficiency drops below 50% when using 8-16 cores on the shared-memory architecture, or 16-32 nodes on the distributed-memory architecture, depending on the calculation. This limits the scalability of the implementation to a moderate amount of processes. Nonetheless, calculations that took more than 3 days on a serial machine could be performed in less than 5 h on an InfiniBand cluster, where the individual nodes were not even capable of running the calculation because of memory and I/O requirements. This ensures the continuing study of larger molecular systems by means of CASPT2/RASPT2 through the use of the aggregated computational resources offered by distributed computing systems. PMID:23749386
Secular perturbations of the Uranian satellites - Theory and practice
NASA Technical Reports Server (NTRS)
Malhotra, R.; Nicholson, P. D.; Fox, K.; Murray, C. D.
1989-01-01
A simple revised secular perturbation theory which incorporates the averaged secular effect of first-order near-resonances is derived. By including the effects of these near-resonances, the largest error in the secular frequencies is reduced from 16 percent to less than 3 percent. It is concluded that the revised secular perturbation theory is adequate for the quantitative modeling of the long-term perturbations in the Uranian satellite system. If incorporated within the general theory of Laskar (1986), this theory would lead to completely analytic theory.
Kato expansion in quantum canonical perturbation theory
NASA Astrophysics Data System (ADS)
Nikolaev, Andrey
2016-06-01
This work establishes a connection between canonical perturbation series in quantum mechanics and a Kato expansion for the resolvent of the Liouville superoperator. Our approach leads to an explicit expression for a generator of a block-diagonalizing Dyson's ordered exponential in arbitrary perturbation order. Unitary intertwining of perturbed and unperturbed averaging superprojectors allows for a description of ambiguities in the generator and block-diagonalized Hamiltonian. We compare the efficiency of the corresponding computational algorithm with the efficiencies of the Van Vleck and Magnus methods for high perturbative orders.
Perturbation Theory for Parent Hamiltonians of Matrix Product States
NASA Astrophysics Data System (ADS)
Szehr, Oleg; Wolf, Michael M.
2015-05-01
This article investigates the stability of the ground state subspace of a canonical parent Hamiltonian of a Matrix product state against local perturbations. We prove that the spectral gap of such a Hamiltonian remains stable under weak local perturbations even in the thermodynamic limit, where the entire perturbation might not be bounded. Our discussion is based on preceding work by Yarotsky that develops a perturbation theory for relatively bounded quantum perturbations of classical Hamiltonians. We exploit a renormalization procedure, which on large scale transforms the parent Hamiltonian of a Matrix product state into a classical Hamiltonian plus some perturbation. We can thus extend Yarotsky's results to provide a perturbation theory for parent Hamiltonians of Matrix product states and recover some of the findings of the independent contributions (Cirac et al in Phys Rev B 8(11):115108, 2013) and (Michalakis and Pytel in Comm Math Phys 322(2):277-302, 2013).
Prosodic adaptations to pitch perturbation in running speech
Patel, Rupal; Niziolek, Caroline; Reilly, Kevin; Guenther, Frank H.
2012-01-01
Purpose A feedback perturbation paradigm was used to investigate whether prosodic cues are controlled independently or in an integrated fashion during sentence production. Method Twenty-one healthy speakers of American English were asked to produce sentences with emphatic stress while receiving real-time auditory feedback of their productions. The fundamental frequency (F0) of the stressed word in each four-word sentence was selectively shifted in a sensorimotor adaptation protocol. Speakers experienced either an upward or a downward shift of the stressed word, which gradually altered the perceived stress of the sentence. Results Participants in the Up and Down groups adapted to F0 shifts by altering the contrast between stressed and unstressed words differentially, such that the two groups deviated from each other in the perturbation phase. Furthermore, selective F0 perturbation in sentences with emphatic stress resulted in compensatory changes in both F0 and intensity. Conclusions Present findings suggest that F0 and intensity are controlled in an integrated fashion to maintain the contrast between stressed and unstressed words. When one cue is impaired through perturbation, speakers not only oppose the perturbation but enhance other prosodic cues to achieve emphatic stress. PMID:21173388
Chiral perturbation theory for the Wilson lattice action
Rupak, Gautam; Shoresh, Noam
2002-01-25
The authors extend chiral perturbation theory to include linear dependence on the lattice spacing a for the Wilson action. The perturbation theory is written as a double expansion in the small quark mass m{sub q} and lattice spacing a. They present formulae for the mass and decay constant of a flavor-non-singlet meson in this scheme to order a and m{sub q}{sup 2}. The extension to the partially quenched theory is also described.
Brevity of haptic force perturbations induces heightened adaptive sensitivity
Wanda, Paul A.; Fine, Michael S.; Weeks, Heidi M.; Gross, Andrew M.; Macy, Jenny L.; Thoroughman, Kurt A.
2013-01-01
We have exposed human participants to both full-movement and pulsatile viscous force perturbations to study the effect of force duration on the incremental transformation of sensation into adaptation. Traditional views of movement biomechanics could suggest that pulsatile forces would largely be attenuated as stiffness and viscosity act as a natural low-pass filter. Sensory transduction, however, tends to react to changes in stimuli and therefore could underlie heightened sensitivity to briefer, pulsatile forces. Here, participants adapted within perturbation duration conditions in a manner proportionate to sensed force and positional errors. Across perturbation conditions, we found participants had greater adaptive sensitivity when experiencing pulsatile forces rather than full-movement forces. In a follow-up experiment, we employed error-clamped, force channel trials to determine changes in predictive force generation. We found that while participants learned to closely compensate for the amplitude and breadth of full-movement forces, they exhibited a persistent mismatch in amplitude and breadth between adapted motor output and experienced pulsatile forces. This mismatch could generate higher salience of error signals that contribute to heightened sensitivity to pulsatile forces. PMID:23468159
Second-order perturbation theory: Problems on large scales
NASA Astrophysics Data System (ADS)
Pound, Adam
2015-11-01
In general-relativistic perturbation theory, a point mass accelerates away from geodesic motion due to its gravitational self-force. Because the self-force is small, one can often approximate the motion as geodesic. However, it is well known that self-force effects accumulate over time, making the geodesic approximation fail on long time scales. It is less well known that this failure at large times translates to a failure at large distances as well. At second perturbative order, two large-distance pathologies arise: spurious secular growth and infrared-divergent retarded integrals. Both stand in the way of practical computations of second-order self-force effects. Utilizing a simple flat-space scalar toy model, I develop methods to overcome these obstacles. The secular growth is tamed with a multiscale expansion that captures the system's slow evolution. The divergent integrals are eliminated by matching to the correct retarded solution at large distances. I also show how to extract conservative self-force effects by taking local-in-time "snapshots" of the global solution. These methods are readily adaptable to the physically relevant case of a point mass orbiting a black hole.
Renormalization-scheme-invariant perturbation theory: Miracle or mirage
Chyla, J.
1985-05-15
A recently proposed solution to the renormalization-scheme ambiguity in perturbation theory is critically analyzed and shown to possess another kind of ambiguity closely related to the one it is supposed to cure.
Convergent perturbation theory for lattice models with fermions
NASA Astrophysics Data System (ADS)
Sazonov, V. K.
2016-05-01
The standard perturbation theory in QFT and lattice models leads to the asymptotic expansions. However, an appropriate regularization of the path or lattice integrals allows one to construct convergent series with an infinite radius of the convergence. In the earlier studies, this approach was applied to the purely bosonic systems. Here, using bosonization, we develop the convergent perturbation theory for a toy lattice model with interacting fermionic and bosonic fields.
Adjoint Function: Physical Basis of Variational & Perturbation Theory in Transport
Energy Science and Technology Software Center (ESTSC)
2009-07-27
Version 00 Dr. J.D. Lewins has now released the following legacy book for free distribution: Importance: The Adjoint Function: The Physical Basis of Variational and Perturbation Theory in Transport and Diffusion Problems, North-Holland Publishing Company - Amsterdam, 582 pages, 1966 Introduction: Continuous Systems and the Variational Principle 1. The Fundamental Variational Principle 2. The Importance Function 3. Adjoint Equations 4. Variational Methods 5. Perturbation and Iterative Methods 6. Non-Linear Theory
Cosmological perturbation theory in 1+1 dimensions
NASA Astrophysics Data System (ADS)
McQuinn, Matthew; White, Martin
2016-01-01
Many recent studies have highlighted certain failures of the standard Eulerian-space cosmological perturbation theory (SPT). Its problems include (1) not capturing large-scale bulk flows [leading to an Script O( 1) error in the 1-loop SPT prediction for the baryon acoustic peak in the correlation function], (2) assuming that the Universe behaves as a pressureless, inviscid fluid, and (3) treating fluctuations on scales that are non-perturbative as if they were. Recent studies have highlighted the successes of perturbation theory in Lagrangian space or theories that solve equations for the effective dynamics of smoothed fields. Both approaches mitigate some or all of the aforementioned issues with SPT. We discuss these physical developments by specializing to the simplified 1D case of gravitationally interacting sheets, which allows us to substantially reduces the analytic overhead and still (as we show) maintain many of the same behaviors as in 3D. In 1D, linear-order Lagrangian perturbation theory ("the Zeldovich approximation") is exact up to shell crossing, and we prove that nth-order Eulerian perturbation theory converges to the Zeldovich approximation as narrow ∞. In no 1D cosmology that we consider (including a CDM-like case and power-law models) do these theories describe accurately the matter power spectrum on any mildly nonlinear scale. We find that theories based on effective equations are much more successful at describing the dynamics. Finally, we discuss many topics that have recently appeared in the perturbation theory literature such as beat coupling, the shift and smearing of the baryon acoustic oscillation feature, and the advantages of Fourier versus configuration space. Our simplified 1D case serves as an intuitive review of these perturbation theory results.
Novel Hybrid Adaptive Controller for Manipulation in Complex Perturbation Environments
Smith, Alex M. C.; Yang, Chenguang; Ma, Hongbin; Culverhouse, Phil; Cangelosi, Angelo; Burdet, Etienne
2015-01-01
In this paper we present a hybrid control scheme, combining the advantages of task-space and joint-space control. The controller is based on a human-like adaptive design, which minimises both control effort and tracking error. Our novel hybrid adaptive controller has been tested in extensive simulations, in a scenario where a Baxter robot manipulator is affected by external disturbances in the form of interaction with the environment and tool-like end-effector perturbations. The results demonstrated improved performance in the hybrid controller over both of its component parts. In addition, we introduce a novel method for online adaptation of learning parameters, using the fuzzy control formalism to utilise expert knowledge from the experimenter. This mechanism of meta-learning induces further improvement in performance and avoids the need for tuning through trial testing. PMID:26029916
Novel hybrid adaptive controller for manipulation in complex perturbation environments.
Smith, Alex M C; Yang, Chenguang; Ma, Hongbin; Culverhouse, Phil; Cangelosi, Angelo; Burdet, Etienne
2015-01-01
In this paper we present a hybrid control scheme, combining the advantages of task-space and joint-space control. The controller is based on a human-like adaptive design, which minimises both control effort and tracking error. Our novel hybrid adaptive controller has been tested in extensive simulations, in a scenario where a Baxter robot manipulator is affected by external disturbances in the form of interaction with the environment and tool-like end-effector perturbations. The results demonstrated improved performance in the hybrid controller over both of its component parts. In addition, we introduce a novel method for online adaptation of learning parameters, using the fuzzy control formalism to utilise expert knowledge from the experimenter. This mechanism of meta-learning induces further improvement in performance and avoids the need for tuning through trial testing. PMID:26029916
Precise effective masses from density functional perturbation theory
NASA Astrophysics Data System (ADS)
Laflamme Janssen, J.; Gillet, Y.; Poncé, S.; Martin, A.; Torrent, M.; Gonze, X.
2016-05-01
The knowledge of effective masses is a key ingredient to analyze numerous properties of semiconductors, like carrier mobilities, (magneto)transport properties, or band extrema characteristics yielding carrier densities and density of states. Currently, these masses are usually calculated using finite-difference estimation of density functional theory (DFT) electronic band curvatures. However, finite differences require an additional convergence study and are prone to numerical noise. Moreover, the concept of effective mass breaks down at degenerate band extrema. We assess the former limitation by developing a method that allows to obtain the Hessian of DFT bands directly, using density functional perturbation theory. Then, we solve the latter issue by adapting the concept of "transport equivalent effective mass" to the k .p ̂ framework. The numerical noise inherent to finite-difference methods is thus eliminated, along with the associated convergence study. The resulting method is therefore more general, more robust, and simpler to use, which makes it especially appropriate for high-throughput computing. After validating the developed techniques, we apply them to the study of silicon, graphane, and arsenic. The formalism is implemented into the abinit software and supports the norm-conserving pseudopotential approach, the projector augmented-wave method, and the inclusion of spin-orbit coupling. The derived expressions also apply to the ultrasoft pseudopotential method.
Density perturbations in general modified gravitational theories
De Felice, Antonio; Tsujikawa, Shinji; Mukohyama, Shinji
2010-07-15
We derive the equations of linear cosmological perturbations for the general Lagrangian density f(R,{phi},X)/2+L{sub c}, where R is a Ricci scalar, {phi} is a scalar field, and X=-{partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}/}2 is a field kinetic energy. We take into account a nonlinear self-interaction term L{sub c}={xi}({phi}) {open_square}{phi}({partial_derivative}{sup {mu}{phi}{partial_derivative}}{sub {mu}{phi}}) recently studied in the context of ''Galileon'' cosmology, which keeps the field equations at second order. Taking into account a scalar-field mass explicitly, the equations of matter density perturbations and gravitational potentials are obtained under a quasistatic approximation on subhorizon scales. We also derive conditions for the avoidance of ghosts and Laplacian instabilities associated with propagation speeds. Our analysis includes most of modified gravity models of dark energy proposed in literature; and thus it is convenient to test the viability of such models from both theoretical and observational points of view.
Perturbation Theory of Massive Yang-Mills Fields
DOE R&D Accomplishments Database
Veltman, M.
1968-08-01
Perturbation theory of massive Yang-Mills fields is investigated with the help of the Bell-Treiman transformation. Diagrams containing one closed loop are shown to be convergent if there are more than four external vector boson lines. The investigation presented does not exclude the possibility that the theory is renormalizable.
Degenerate R-S perturbation theory
NASA Technical Reports Server (NTRS)
Hirschfelder, J. O.; Certain, P. R.
1973-01-01
A concise, systematic procedure is given for determining the Rayleigh-Schrodinger energies and wave functions of degenerate states to arbitrarily high orders even when the degeneracies of the various states are resolved in arbitrary orders. The procedure is expressed in terms of an iterative cycle in which the energy through the (2n+1)st order is expressed in terms of the partially determined wave function through the n-th order. Both a direct and an operator derivation are given. The two approaches are equivalent and can be transcribed into each other. The direct approach deals with the wave functions (without the use of formal operators) and has the advantage that it resembles the usual treatment of nondegenerate perturbations and maintains close contact with the basic physics. In the operator approach, the wave functions are expressed in terms of infinite order operators which are determined by the successive resolution of the space of the zeroth order functions.
Perturbative gauge theory at null infinity
NASA Astrophysics Data System (ADS)
Adamo, Tim; Casali, Eduardo
2015-06-01
We describe a theory living on the null conformal boundary I of four-dimensional Minkowski space, the states of which include the radiative modes of Yang-Mills theory. The action of a Kac-Moody symmetry algebra on the correlators of these states leads to a Ward identity for asymptotic "large" gauge transformations which is equivalent to the soft gluon theorem. The subleading soft gluon behavior is also obtained from a Ward identity for charges acting as vector fields on the sphere of null generators of I . Correlation functions of the Yang-Mills states are shown to produce the full classical S-matrix of Yang-Mills theory. The model contains additional states arising from nonunitary gravitational degrees of freedom, indicating a relationship with the twistor string of Berkovits and Witten.
Adaptive Wing Camber Optimization: A Periodic Perturbation Approach
NASA Technical Reports Server (NTRS)
Espana, Martin; Gilyard, Glenn
1994-01-01
Available redundancy among aircraft control surfaces allows for effective wing camber modifications. As shown in the past, this fact can be used to improve aircraft performance. To date, however, algorithm developments for in-flight camber optimization have been limited. This paper presents a perturbational approach for cruise optimization through in-flight camber adaptation. The method uses, as a performance index, an indirect measurement of the instantaneous net thrust. As such, the actual performance improvement comes from the integrated effects of airframe and engine. The algorithm, whose design and robustness properties are discussed, is demonstrated on the NASA Dryden B-720 flight simulator.
Bakr, Brandon W; Sherrill, C David
2016-04-21
Rational design of catalysts would be aided by a better understanding of how non-covalent interactions stabilize transition states. Here, we apply the newly-developed Functional-Group Symmetry-Adapted Perturbation Theory (F-SAPT) to quantify non-covalent interactions in transition states of the proline-catalyzed intermolecular aldol reaction between benzaldehyde and cyclohexanone, according to the Houk-List mechanism [Bahmanyar et al., J. Am. Chem. Soc., 2003, 125, 2475]. A recent re-examination of this organocatalytic reaction by Rzepa and co-workers [Armstrong et al., Chem. Sci., 2014, 5, 2057] used electron density analysis to identify three key non-covalent interactions thought to influence stereoselectivity: (1) a favorable electrostatic interaction (originally identified by Houk and List) between the NCH(δ+) group of the enamine intermediate and the (δ-)O[double bond, length as m-dash]C of benzaldehyde; (2) a C-H/π interaction between the cyclohexene group of the enamine intermediate and the benzaldehyde phenyl ring; (3) a stabilizing contact between an ortho-hydrogen of the phenyl and an oxygen of the carboxylic acid group of the enamine. These three interactions have been directly computed using F-SAPT, which confirms the stabilizing interaction between an ortho-hydrogen and the carboxylic acid in the (S,S) and (R,S) transition state stereoisomers. F-SAPT analysis also finds stabilizing dispersion and electrostatic interactions due to a C-H/π interaction between the cyclohexene and phenyl groups in the (S,S) and (R,R) transition states. However, unfavorable exchange-repulsion cancels the attractive terms that favor these stereoisomers. Surprisingly, the interaction thought to be most important for stereoselectivity, the NCH(δ+)(δ-)O[double bond, length as m-dash]C interaction, is actually found to be repulsive due to the negative charge on the nitrogen. Hence, our results indicate that geometric analysis and/or density-based analysis does not
Rapid adaptation to Coriolis force perturbations of arm trajectory
NASA Technical Reports Server (NTRS)
Lackner, J. R.; Dizio, P.
1994-01-01
line to the wrong place. Aftereffects of opposite sign were transiently present in the postrotary movements. 5. These observations fail to support current equilibrium point models, both alpha and lambda, of movement control. Such theories would not predict endpoint errors under our experimental conditions, in which the Coriolis force is absent at the beginning and end of a movement. Our results indicate that detailed aspects of movement trajectory are being continuously monitored on the basis of proprioceptive feedback in relation to motor commands. Adaptive compensations can be initiated after one perturbation despite the absence of either visual or tactile feedback about movement trajectory and endpoint error. Moreover, movement trajectory and end-point can be remapped independently.(ABSTRACT TRUNCATED AT 400 WORDS).
Optimized perturbation theory: the pion form factor
Gupta, R.
1981-10-01
The order ..cap alpha../sup 2//sub s/(Q/sup 2/) corrections to the pion form-factor F/sub ..pi../(Q/sup 2/) are calculated using perturbative QCD and dimensional regularization. The result is compared in the MS and MOM subtraction schemes and plotted as a function of Q/sup 2//Q/sup 2/ where Q is the subtraction point. There is a large dependence on the scheme, the definition of the running coupling constant ..cap alpha../sub s/(Q/sup 2/) and the subtraction point Q. We find it best to invert the ..beta..-function equation for the definition of ..cap alpha../sub s/ rather than make an expansion in powers of log(Q/sup 2//..lambda../sup 2/). We study two methods to optimize the result with respect to Q: Stevenson's prescription and putting the 0(..cap alpha../sup 2//sub s/) term to zero. Both methods give almost the same value for Q/sup 2/F/sub ..pi../ and this value is scheme independent.
One-loop chiral perturbation theory with two fermion representations
NASA Astrophysics Data System (ADS)
DeGrand, Thomas; Golterman, Maarten; Neil, Ethan T.; Shamir, Yigal
2016-07-01
We develop chiral perturbation theory for chirally broken theories with fermions in two different representations of the gauge group. Any such theory has a nonanomalous singlet U (1 )A symmetry, yielding an additional Nambu-Goldstone boson when spontaneously broken. We calculate the next-to-leading order corrections for the pseudoscalar masses and decay constants, which include the singlet Nambu-Goldstone boson, as well as for the two condensates. The results can be generalized to more than two representations.
String perturbation theory and effective Lagrangians
Klebanov, I.
1987-09-01
We isolate logarithmic divergences from bosonic string amplitudes on a disc. These divergences are compared with 'tadpole' divergences in the effective field theory with a cosmological term, which also contains an effective potential for the dilation. Also, corrections to ..beta..-functions are compared with variations of the effective action. In both cases we find an inconsistency between the two. This is a serious problem which could undermine our ability to remove divergences from the bosonic string.
Quasi-degenerate perturbation theory using matrix product states.
Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali
2016-01-21
In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost. PMID:26801016
Quasi-degenerate perturbation theory using matrix product states
NASA Astrophysics Data System (ADS)
Sharma, Sandeep; Jeanmairet, Guillaume; Alavi, Ali
2016-01-01
In this work, we generalize the recently proposed matrix product state perturbation theory (MPSPT) for calculating energies of excited states using quasi-degenerate (QD) perturbation theory. Our formulation uses the Kirtman-Certain-Hirschfelder canonical Van Vleck perturbation theory, which gives Hermitian effective Hamiltonians at each order, and also allows one to make use of Wigner's 2n + 1 rule. Further, our formulation satisfies Granovsky's requirement of model space invariance which is important for obtaining smooth potential energy curves. Thus, when we use MPSPT with the Dyall Hamiltonian, we obtain a model space invariant version of quasi-degenerate n-electron valence state perturbation theory (NEVPT), a property that the usual formulation of QD-NEVPT2 based on a multipartitioning technique lacked. We use our method on the benchmark problems of bond breaking of LiF which shows ionic to covalent curve crossing and the twist around the double bond of ethylene where significant valence-Rydberg mixing occurs in the excited states. In accordance with our previous work, we find that multi-reference linearized coupled cluster theory is more accurate than other multi-reference theories of similar cost.
Next-to-leading resummations in cosmological perturbation theory
Anselmi, Stefano; Matarrese, Sabino; Pietroni, Massimo E-mail: sabino.matarrese@pd.infn.it
2011-06-01
One of the nicest results in cosmological perturbation theory is the analytical resummaton of the leading corrections at large momentum, which was obtained by Crocce and Scoccimarro for the propagator in Crocce (2005). Using an exact evolution equation, we generalize this result, by showing that a class of next-to-leading corrections can also be resummed at all orders in perturbation theory. The new corrections modify the propagator by a few percent in the Baryonic Acoustic Oscillation range of scales, and therefore cannot be neglected in resummation schemes aiming at an accuracy compatible with future generation galaxy surveys. Similar tools can be employed to derive improved approximations for the Power Spectrum.
Perturbation theory for a resistivity shunted Josephson element
NASA Technical Reports Server (NTRS)
Thompson, E. D.
1973-01-01
We present a systematic perturbation theory, extendable in principle to all orders of magnitude, for the solution of the equations of motion of an ideal Josephson element shunted by a resistance and driven by a dc current source and a small time-dependent source. We present second-order results for the case in which the time dependence is that of a single sinusoid, and these results are compared with other numerical and analytical calculations. Near, but not on, the first constant voltage step where the perturbation theory appears divergent, the current-voltage characteristic is calculated by means of a nonperturbative adiabatic procedure. The impedance and responsivity agree with earlier results.
Perturbations of matter fields in the second-order gauge-invariant cosmological perturbation theory
NASA Astrophysics Data System (ADS)
Nakamura, Kouji
2009-12-01
To show that the general framework of the second-order gauge-invariant perturbation theory developed by K. Nakamura [Prog. Theor. Phys. 110, 723 (2003)PTPKAV0033-068X10.1143/PTP.110.723; Prog. Theor. Phys. 113, 481 (2005)PTPKAV0033-068X10.1143/PTP.113.481] is applicable to a wide class of cosmological situations, some formulas for the perturbations of the matter fields are summarized within the framework of the second-order gauge-invariant cosmological perturbation theory in a four-dimensional homogeneous isotropic universe, which is developed in Prog. Theor. Phys. 117, 17 (2007)PTPKAV0033-068X10.1143/PTP.117.17. We derive the formulas for the perturbations of the energy-momentum tensors and equations of motion for a perfect fluid, an imperfect fluid, and a single scalar field, and show that all equations are derived in terms of gauge-invariant variables without any gauge fixing. Through these formulas, we may say that the decomposition formulas for the perturbations of any tensor field into gauge-invariant and gauge-variant parts, which are proposed in the above papers, are universal.
Black hole perturbation theory in a light cone gauge
NASA Astrophysics Data System (ADS)
Preston, Brent
The metric of a Schwarzschild black hole immersed in a uniform magnetic field is studied using black hole perturbation theory in a light crone coordinate system that penetrates the event horizon and possesses a clear geometrical meaning. The magnetic field, which is distorted due to the presence of the black hole, has strength B which is assumed to be small compared to the curvature of the spacetime which allows the perturbed metric to be calculated to order B 2 only. The coordinates allow for an easy identification of the event horizon and the properties of the perturbed black hole are studied. To interpret this perturbed metric, the advanced coordinates are decomposed into irreducible parts which yields the metric of a perturbed black hole in the limit r >> 2 M . Finally we compare our perturbed solution to an exact solution. We show that our perturbed solution is able to match the exact solution but has the freedom to describe a larger class of physically relevant solutions.
Effective gravitational couplings for cosmological perturbations in generalized Proca theories
NASA Astrophysics Data System (ADS)
De Felice, Antonio; Heisenberg, Lavinia; Kase, Ryotaro; Mukohyama, Shinji; Tsujikawa, Shinji; Zhang, Ying-li
2016-08-01
We consider the finite interactions of the generalized Proca theory including the sixth-order Lagrangian and derive the full linear perturbation equations of motion on the flat Friedmann-Lemaître-Robertson-Walker background in the presence of a matter perfect fluid. By construction, the propagating degrees of freedom (besides the matter perfect fluid) are two transverse vector perturbations, one longitudinal scalar, and two tensor polarizations. The Lagrangians associated with intrinsic vector modes neither affect the background equations of motion nor the second-order action of tensor perturbations, but they do give rise to nontrivial modifications to the no-ghost condition of vector perturbations and to the propagation speeds of vector and scalar perturbations. We derive the effective gravitational coupling Geff with matter density perturbations under a quasistatic approximation on scales deep inside the sound horizon. We find that the existence of intrinsic vector modes allows a possibility for reducing Geff. In fact, within the parameter space, Geff can be even smaller than the Newton gravitational constant G at the late cosmological epoch, with a peculiar phantom dark energy equation of state (without ghosts). The modifications to the slip parameter η and the evolution of the growth rate f σ8 are discussed as well. Thus, dark energy models in the framework of generalized Proca theories can be observationally distinguished from the Λ CDM model according to both cosmic growth and expansion history. Furthermore, we study the evolution of vector perturbations and show that outside the vector sound horizon the perturbations are nearly frozen and start to decay with oscillations after the horizon entry.
Variational perturbation theory and nonperturbative calculations in QCD
NASA Astrophysics Data System (ADS)
Solovtsova, O. P.
2013-10-01
A nonperturbative approach based on the variational perturbation theory in quantum chromodynamics is developed. The variational series is different from the conventional perturbative expansion and can be used to go beyond the weak-coupling regime. The approach suggested takes into account the summation of threshold singularities and the involvement of nonperturbative light quark masses. Phenomenological applications of this approach to describe physical quantities connected with the hadronic τ-decay data: the R τ ratio, the light-quark Adler function, and the smeared R Δ function are presented. The description of examined quantities includes an infrared region and, therefore, they cannot be directly calculated within the standard perturbation theory. It is shown that in spite of this fact the approach suggested gives a rather good result for these quantities down to the lowest energy scale.
An improved thermodynamic perturbation theory for Mercedes-Benz water
NASA Astrophysics Data System (ADS)
Urbic, T.; Vlachy, V.; Kalyuzhnyi, Yu. V.; Dill, K. A.
2007-11-01
We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient.
An improved thermodynamic perturbation theory for Mercedes-Benz water.
Urbic, T; Vlachy, V; Kalyuzhnyi, Yu V; Dill, K A
2007-11-01
We previously applied Wertheim's thermodynamic perturbation theory for associative fluids to the simple Mercedes-Benz model of water. We found that the theory reproduced well the physical properties of hot water, but was less successful in capturing the more structured hydrogen bonding that occurs in cold water. Here, we propose an improved version of the thermodynamic perturbation theory in which the effective density of the reference system is calculated self-consistently. The new theory is a significant improvement, giving good agreement with Monte Carlo simulations of the model, and predicting key anomalies of cold water, such as minima in the molar volume and large heat capacity, in addition to giving good agreement with the isothermal compressibility and thermal expansion coefficient. PMID:17994831
Nonstandard formulation of perturbation theory for Green's function
Aliev, M.N.; Tagiev, V.S.
1989-01-01
Perturbation theory is developed for two-variable Green's functions (GF) when the initial GF is linked simultaneously to several higher-order GF. The total mass operator of the initial GF is obtained mathematically correctly in a form convenient for use. As an example of the application of this method, the mass operator of a nuclear spin anticommutator GF is calculated.
Primordial perturbations in Einstein-Aether and BPSH theories
Armendariz-Picon, Cristian; Sierra, Noela Fariña; Garriga, Jaume E-mail: noela@ffn.ub.es
2010-07-01
We study the primordial perturbations generated during a stage of single-field inflation in Einstein-aether theories. Quantum fluctuations of the inflaton and aether fields seed long wavelength adiabatic and isocurvature scalar perturbations, as well as transverse vector perturbations. Geometrically, the isocurvature mode is the potential for the velocity field of the aether with respect to matter. For a certain range of parameters, this mode may lead to a sizable random velocity of the aether within the observable universe. The adiabatic mode corresponds to curvature perturbations of co-moving slices (where matter is at rest). In contrast with the standard case, it has a non-vanishing anisotropic stress on large scales. Scalar and vector perturbations may leave significant imprints on the cosmic microwave background. We calculate their primordial spectra, analyze their contributions to the temperature anisotropies, and formulate some of the phenomenological constraints that follow from observations. These may be used to further tighten the existing limits on the parameters for this class of theories. The results for the scalar sector also apply to the extension of Hořava gravity recently proposed by Blas, Pujolàs and Sibiryakov.
Nonperturbative Quantum Physics from Low-Order Perturbation Theory
NASA Astrophysics Data System (ADS)
Mera, Héctor; Pedersen, Thomas G.; Nikolić, Branislav K.
2015-10-01
The Stark effect in hydrogen and the cubic anharmonic oscillator furnish examples of quantum systems where the perturbation results in a certain ionization probability by tunneling processes. Accordingly, the perturbed ground-state energy is shifted and broadened, thus acquiring an imaginary part which is considered to be a paradigm of nonperturbative behavior. Here we demonstrate how the low order coefficients of a divergent perturbation series can be used to obtain excellent approximations to both real and imaginary parts of the perturbed ground state eigenenergy. The key is to use analytic continuation functions with a built-in singularity structure within the complex plane of the coupling constant, which is tailored by means of Bender-Wu dispersion relations. In the examples discussed the analytic continuation functions are Gauss hypergeometric functions, which take as input fourth order perturbation theory and return excellent approximations to the complex perturbed eigenvalue. These functions are Borel consistent and dramatically outperform widely used Padé and Borel-Padé approaches, even for rather large values of the coupling constant.
Perturbation-iteration theory for analyzing microwave striplines
NASA Technical Reports Server (NTRS)
Kretch, B. E.
1985-01-01
A perturbation-iteration technique is presented for determining the propagation constant and characteristic impedance of an unshielded microstrip transmission line. The method converges to the correct solution with a few iterations at each frequency and is equivalent to a full wave analysis. The perturbation-iteration method gives a direct solution for the propagation constant without having to find the roots of a transcendental dispersion equation. The theory is presented in detail along with numerical results for the effective dielectric constant and characteristic impedance for a wide range of substrate dielectric constants, stripline dimensions, and frequencies.
Revisiting metric perturbations in tensor-vector-scalar theory
NASA Astrophysics Data System (ADS)
Feix, Martin
2016-05-01
I revisit cosmological perturbations in Bekenstein's tensor-vector-scalar theory (TeVeS). Considering only scalar modes in the conformal Newtonian gauge, the extra degrees of freedom are expressed in a way suitable for studying modifications at the level of the metric potentials. Assuming a universe in the matter-dominated phase, I discuss the mechanism responsible for boosting structure growth and confirm the vector field as its key ingredient. Using a semianalytic approach, I further characterize the evolution of density perturbations and the potentials on sub- and superhorizon scales.
Perturbation theory in the Hamiltonian approach to Yang-Mills theory in Coulomb gauge
Campagnari, Davide R.; Reinhardt, Hugo; Weber, Axel
2009-07-15
We study the Hamiltonian approach to Yang-Mills theory in Coulomb gauge in Rayleigh-Schroedinger perturbation theory. The static gluon and ghost propagator as well as the potential between static color sources are calculated to one-loop order. Furthermore, the one-loop {beta} function is calculated from both the ghost-gluon vertex and the static potential and found to agree with the result of covariant perturbation theory.
Invariant exchange perturbation theory for multicenter systems: Time-dependent perturbations
Orlenko, E. V. Evstafev, A. V.; Orlenko, F. E.
2015-02-15
A formalism of exchange perturbation theory (EPT) is developed for the case of interactions that explicitly depend on time. Corrections to the wave function obtained in any order of perturbation theory and represented in an invariant form include exchange contributions due to intercenter electron permutations in complex multicenter systems. For collisions of atomic systems with an arbitrary type of interaction, general expressions are obtained for the transfer (T) and scattering (S) matrices in which intercenter electron permutations between overlapping nonorthogonal states belonging to different centers (atoms) are consistently taken into account. The problem of collision of alpha particles with lithium atoms accompanied by the redistribution of electrons between centers is considered. The differential and total charge-exchange cross sections of lithium are calculated.
Perturbations of single-field inflation in modified gravity theory
NASA Astrophysics Data System (ADS)
Qiu, Taotao; Xia, Jun-Qing
2015-05-01
In this paper, we study the case of single field inflation within the framework of modified gravity theory where the gravity part has an arbitrary form f (R). Via a conformal transformation, this case can be transformed into its Einstein frame where it looks like a two-field inflation model. However, due to the existence of the isocurvature modes in such a multi-degree-of-freedom (m.d.o.f.) system, the (curvature) perturbations are not equivalent in two frames, so despite of its convenience, it is illegal to treat the perturbations in its Einstein frame as the "real" ones as we always do for pure f (R) theory or single field with nonminimal coupling. Here by pulling the results of curvature perturbations back into its original Jordan frame, we show explicitly the power spectrum and spectral index of the perturbations in the Jordan frame, as well as how it differs from the Einstein frame. We also fit our results with the newest Planck data. Since there is large parameter space in these models, we show that it is easy to fit the data very well.
Path integration and perturbation theory with complex Euclidean actions
NASA Astrophysics Data System (ADS)
Alexanian, Garnik; MacKenzie, R.; Paranjape, M. B.; Ruel, Jonathan
2008-05-01
The Euclidean path integral quite often involves an action that is not completely real, i.e. a complex action. This occurs when the Minkowski action contains t-odd CP-violating terms. This usually consists of topological terms, such as the Chern-Simons term in odd dimensions, the Wess-Zumino term, the θ term or Chern character in 4-dimensional gauge theories, or other topological densities. Analytic continuation to Euclidean time yields an imaginary term in the Euclidean action. It also occurs when the action contains fermions, the fermion path integral being in general a sum over positive and negative real numbers. Negative numbers correspond to the exponential of iπ and hence indicate the presence of an imaginary term in the action. In the presence of imaginary terms in the Euclidean action, the usual method of perturbative quantization can fail. Here the action is expanded about its critical points, the quadratic part serving to define the Gaussian free theory and the higher order terms defining the perturbative interactions. For a complex action, the critical points are generically obtained at complex field configurations. Hence the contour of path integration does not pass through the critical points and the perturbative paradigm cannot be directly implemented. The contour of path integration has to be deformed to pass through the complex critical point using a generalized method of steepest descent, in order to do so. Typically, this procedure is not followed. Rather, only the real part of the Euclidean action is considered, and its critical points are used to define the perturbation theory, a procedure that can lead to incorrect results. In this article we present a simple example to illustrate this point. The example consists of N scalar fields in 0+1 dimensions interacting with a U(1) gauge field in the presence of a Chern-Simons term. In this example the path integral can be done exactly, the procedure of deformation of the contour of path integration
On the non-linear scale of cosmological perturbation theory
Blas, Diego; Garny, Mathias; Konstandin, Thomas E-mail: mathias.garny@desy.de
2013-09-01
We discuss the convergence of cosmological perturbation theory. We prove that the polynomial enhancement of the non-linear corrections expected from the effects of soft modes is absent in equal-time correlators like the power or bispectrum. We first show this at leading order by resumming the most important corrections of soft modes to an arbitrary skeleton of hard fluctuations. We derive the same result in the eikonal approximation, which also allows us to show the absence of enhancement at any order. We complement the proof by an explicit calculation of the power spectrum at two-loop order, and by further numerical checks at higher orders. Using these insights, we argue that the modification of the power spectrum from soft modes corresponds at most to logarithmic corrections at any order in perturbation theory. Finally, we discuss the asymptotic behavior in the large and small momentum regimes and identify the expansion parameter pertinent to non-linear corrections.
Calculation of exchange energies using algebraic perturbation theory
Burrows, B. L.; Dalgarno, A.; Cohen, M.
2010-04-15
An algebraic perturbation theory is presented for efficient calculations of localized states and hence of exchange energies, which are the differences between low-lying states of the valence electron of a molecule, formed by the collision of an ion Y{sup +} with an atom X. For the case of a homonuclear molecule these are the gerade and ungerade states and the exchange energy is an exponentially decreasing function of the internuclear distance. For such homonuclear systems the theory is used in conjunction with the Herring-Holstein technique to give accurate exchange energies for a range of intermolecular separations R. Since the perturbation parameter is essentially 1/R, this method is suitable for large R. In particular, exchange energies are calculated for X{sub 2}{sup +} systems, where X is H, Li, Na, K, Rb, or Cs.
A semianalytical satellite theory for weak time-dependent perturbations
NASA Technical Reports Server (NTRS)
Cefola, P.; Mcclain, W.; Early, L.; Green, A.
1980-01-01
The modifications of the semianalytical satellite theory required to include these 'weak' time dependent perturbations are described. The new formulation results in additional terms in the short periodic variations but does not change the averaged equations of motion. Thus the m monthly terms are still included in the averaged equations of motion. This contrasts with the usual approach for the strongly time dependent perturbations in which the m monthly (or m daily, if tesseral harmonics are being considered) terms would be eliminated from the averaged equations of motion and included in the short periodics computation. Numerical test results for the GPS case obtained with a numerical averaging implementation of the new theory demonstrate the accuracy improvement.
Solution of coupled and singular perturbation methods using duality theory.
NASA Technical Reports Server (NTRS)
Chan, W. L.; Leininger, G. G.
1973-01-01
Dual variational techniques developed by Chan and Leininger (1972) are summarized, and duality theory in the form of the Complementary Variational Principle is employed to provide a suboptimal measure for the singular and epsilon-coupled perturbation methods proposed by Kokotovic and Cruz. The suboptimal measure is independent of any a priori knowledge of the optimal solution, thereby providing an absolute estimate of the performance loss rather than an estimate relative to the unknown optimal solution.
Implementation, verification, and application of multicycle depletion perturbation theory
White, J.R.; Burns, T.J.; Williams, M.L.
1980-01-01
Several application-oriented features of generalized depletion perturbation theory (DPT) are analyzed from the viewpoint of the reactor designer. The detailed theory is first reduced to some new terminology necessary for an adequate understanding of DPT. Using this terminology, the main features and computational accuracy of this new technique are illustrated through representative DPT calculations utilizing a CDS-type heterogeneous reactor model. Several examples are presented that indicate the potential of DPT methods as an alternate computational tool for certain types of reactor physics analyses.
Including the {delta}(1232) resonance in baryon chiral perturbation theory
Hacker, C.; Wies, N.; Scherer, S.; Gegelia, J.
2005-11-01
Baryon chiral perturbation theory with explicit {delta}(1232) degrees of freedom is considered. The most general interactions of pions, nucleons, and {delta} consistent with all underlying symmetries as well as with the constraint structure of higher-spin fields are constructed. By use of the extended on-mass-shell renormalization scheme, a manifestly Lorentz-invariant effective-field theory with a systematic power counting is obtained. As applications, we discuss the mass of the nucleon, the pion-nucleon {sigma} term, and the pole of the {delta} propagator.
Improving the ultraviolet behavior in baryon chiral perturbation theory
Djukanovic, D.; Schindler, M.R.; Scherer, S.; Gegelia, J.
2005-08-15
We introduce a new formulation of baryon chiral perturbation theory which improves the ultraviolet behavior of propagators and can be interpreted as a smooth cutoff regularization scheme. It is equivalent to the standard approach, preserves all symmetries, and therefore satisfies the Ward identities. Our formulation is equally well defined in the vacuum, one-nucleon, and few-nucleon sectors of the theory. The equations (Bethe-Salpeter, Lippmann-Schwinger, etc.) for the scattering amplitudes of the few-nucleon sector are free of divergences in the new approach. Unlike the usual cutoff regularization, our 'cutoffs' are parameters of the Lagrangian and do not have to be removed.
Analytical theory of a lunar artificial satellite with third body perturbations
NASA Astrophysics Data System (ADS)
de Saedeleer, Bernard
2006-05-01
We present here the first numerical results of our analytical theory of an artificial satellite of the Moon. The perturbation method used is the Lie Transform for averaging the Hamiltonian of the problem, in canonical variables: short-period terms (linked to l, the mean anomaly) are eliminated first. We achieved a quite complete averaged model with the main four perturbations, which are: the synchronous rotation of the Moon (rate [InlineMediaObject not available: see fulltext.]), the oblateness J 2 of the Moon, the triaxiality C 22 of the Moon ( C_{22} ≈ J_2/10) and the major third body effect of the Earth (ELP2000). The solution is developed in powers of small factors linked to these perturbations up to second-order; the initial perturbations being sorted ([InlineMediaObject not available: see fulltext.] is first-order while the others are second-order). The results are obtained in a closed form, without any series developments in eccentricity nor inclination, so the solution apply for a wide range of values. Numerical integrations are performed in order to validate our analytical theory. The effect of each perturbation is presented progressively and separately as far as possible, in order to achieve a better understanding of the underlying mechanisms. We also highlight the important fact that it is necessary to adapt the initial conditions from averaged to osculating values in order to validate our averaged model dedicated to mission analysis purposes.
Cosmological perturbations and quasistatic assumption in f (R ) theories
NASA Astrophysics Data System (ADS)
Chiu, Mu-Chen; Taylor, Andy; Shu, Chenggang; Tu, Hong
2015-11-01
f (R ) gravity is one of the simplest theories of modified gravity to explain the accelerated cosmic expansion. Although it is usually assumed that the quasi-Newtonian approach (a combination of the quasistatic approximation and sub-Hubble limit) for cosmic perturbations is good enough to describe the evolution of large scale structure in f (R ) models, some studies have suggested that this method is not valid for all f (R ) models. Here, we show that in the matter-dominated era, the pressure and shear equations alone, which can be recast into four first-order equations to solve for cosmological perturbations exactly, are sufficient to solve for the Newtonian potential, Ψ , and the curvature potential, Φ . Based on these two equations, we are able to clarify how the exact linear perturbations fit into different limits. We find that the Compton length controls the quasistatic behaviors in f (R ) gravity. In addition, regardless the validity of quasistatic approximation, a strong version of the sub-Hubble limit alone is sufficient to reduce the exact linear perturbations in any viable f (R ) gravity to second order. Our findings disagree with some previous studies where we find little difference between our exact and quasi-Newtonian solutions even up to k =10 c-1H0.
Infrared propagators of Yang-Mills theory from perturbation theory
Tissier, Matthieu; Wschebor, Nicolas
2010-11-15
We show that the correlation functions of ghosts and gluons for the pure Yang-Mills theory in Landau gauge can be accurately reproduced for all momenta by a one-loop calculation. The key point is to use a massive extension of the Faddeev-Popov action. The agreement with lattice simulation is excellent in d=4. The one-loop calculation also reproduces all the characteristic features of the lattice simulations in d=3 and naturally explains the peculiarities of the propagators in d=2.
System-reservoir theory with anharmonic baths: a perturbative approach
NASA Astrophysics Data System (ADS)
Bhadra, Chitrak; Banerjee, Dhruba
2016-04-01
In this paper we develop the formalism of a general system coupled to a reservoir (the words ‘bath’ and ‘reservoir’ will be used interchangeably) consisting of nonlinear oscillators, based on perturbation theory at the classical level, by extending the standard Zwanzig approach of elimination of bath degrees of freedom order by order in perturbation. We observe that the fluctuation dissipation relation (FDR) of the second kind in its standard form for harmonic baths gets modified due to the nonlinearity and this is manifested through higher powers of {{k}\\text{B}}T in the expression for two-time noise correlation. On the flip side, this very modification allows us to define a dressed (renormalized) system-bath coupling that depends on the temperature and the nonlinear parameters of the bath in such a way that the structure of the FDR (of the second kind) is maintained. As an aside, we also observe that the first moment of the noise arising from a nonlinear bath can be non-zero, even in the absence of any external drive, if the reservoir potential is asymmetric with respect to one of its minima, about which one builds up the perturbation theory.
A simple extrapolation of thermodynamic perturbation theory to infinite order.
Ghobadi, Ahmadreza F; Elliott, J Richard
2015-09-21
Recent analyses of the third and fourth order perturbation contributions to the equations of state for square well spheres and Lennard-Jones chains show trends that persist across orders and molecular models. In particular, the ratio between orders (e.g., A3/A2, where A(i) is the ith order perturbation contribution) exhibits a peak when plotted with respect to density. The trend resembles a Gaussian curve with the peak near the critical density. This observation can form the basis for a simple recursion and extrapolation from the highest available order to infinite order. The resulting extrapolation is analytic and therefore cannot fully characterize the critical region, but it remarkably improves accuracy, especially for the binodal curve. Whereas a second order theory is typically accurate for the binodal at temperatures within 90% of the critical temperature, the extrapolated result is accurate to within 99% of the critical temperature. In addition to square well spheres and Lennard-Jones chains, we demonstrate how the method can be applied semi-empirically to the Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT). PMID:26395687
A simple extrapolation of thermodynamic perturbation theory to infinite order
Ghobadi, Ahmadreza F.; Elliott, J. Richard
2015-09-21
Recent analyses of the third and fourth order perturbation contributions to the equations of state for square well spheres and Lennard-Jones chains show trends that persist across orders and molecular models. In particular, the ratio between orders (e.g., A{sub 3}/A{sub 2}, where A{sub i} is the ith order perturbation contribution) exhibits a peak when plotted with respect to density. The trend resembles a Gaussian curve with the peak near the critical density. This observation can form the basis for a simple recursion and extrapolation from the highest available order to infinite order. The resulting extrapolation is analytic and therefore cannot fully characterize the critical region, but it remarkably improves accuracy, especially for the binodal curve. Whereas a second order theory is typically accurate for the binodal at temperatures within 90% of the critical temperature, the extrapolated result is accurate to within 99% of the critical temperature. In addition to square well spheres and Lennard-Jones chains, we demonstrate how the method can be applied semi-empirically to the Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT)
Communication: Random phase approximation renormalized many-body perturbation theory
Bates, Jefferson E.; Furche, Filipp
2013-11-07
We derive a renormalized many-body perturbation theory (MBPT) starting from the random phase approximation (RPA). This RPA-renormalized perturbation theory extends the scope of single-reference MBPT methods to small-gap systems without significantly increasing the computational cost. The leading correction to RPA, termed the approximate exchange kernel (AXK), substantially improves upon RPA atomization energies and ionization potentials without affecting other properties such as barrier heights where RPA is already accurate. Thus, AXK is more balanced than second-order screened exchange [A. Grüneis et al., J. Chem. Phys. 131, 154115 (2009)], which tends to overcorrect RPA for systems with stronger static correlation. Similarly, AXK avoids the divergence of second-order Møller-Plesset (MP2) theory for small gap systems and delivers a much more consistent performance than MP2 across the periodic table at comparable cost. RPA+AXK thus is an accurate, non-empirical, and robust tool to assess and improve semi-local density functional theory for a wide range of systems previously inaccessible to first-principles electronic structure calculations.
Correlated digital back propagation based on perturbation theory.
Liang, Xiaojun; Kumar, Shiva
2015-06-01
We studied a simplified digital back propagation (DBP) scheme by including the correlation between neighboring signal samples. An analytical expression for calculating the correlation coefficients is derived based on a perturbation theory. In each propagation step, nonlinear distortion due to phase-dependent terms in the perturbative expansion are ignored which enhances the computational efficiency. The performance of the correlated DBP is evaluated by simulating a single-channel single-polarization fiber-optic system operating at 28 Gbaud, 32-quadrature amplitude modulation (32-QAM), and 40 × 80 km transmission distance. As compared to standard DBP, correlated DBP reduces the total number of propagation steps by a factor of 10 without performance penalty. Correlated DBP with only 2 steps per link provides about one dB improvement in Q-factor over linear compensation. PMID:26072825
Superstring perturbation theory and Ramond-Ramond backgrounds
Berenstein, D.; Leigh, R.G.
1999-11-01
We consider perturbative type II superstring theory in the covariant NSR formalism in the presence of NSNS and RR backgrounds. A concrete example that we have in mind is the geometry of D3-branes which in the near-horizon region is AdS{sub 5}{times}S{sub 5}, although our methods may be applied to other backgrounds as well. We show how conformal invariance of the string path integral is maintained order by order in the number of holes. This procedure makes uses of the Fischler-Susskind mechanism to build up the background geometry. A simple formal expression is given for a {sigma}-model Lagrangian. This suggests a perturbative expansion in 1/g{sup 2}N and 1/N. As applications, we consider at leading order the mixing of RR and NSNS states, and the realization of the spacetime supersymmetry algebra. {copyright} {ital 1999} {ital The American Physical Society}
Master equation based steady-state cluster perturbation theory
NASA Astrophysics Data System (ADS)
Nuss, Martin; Dorn, Gerhard; Dorda, Antonius; von der Linden, Wolfgang; Arrigoni, Enrico
2015-09-01
A simple and efficient approximation scheme to study electronic transport characteristics of strongly correlated nanodevices, molecular junctions, or heterostructures out of equilibrium is provided by steady-state cluster perturbation theory. In this work, we improve the starting point of this perturbative, nonequilibrium Green's function based method. Specifically, we employ an improved unperturbed (so-called reference) state ρ̂S, constructed as the steady state of a quantum master equation within the Born-Markov approximation. This resulting hybrid method inherits beneficial aspects of both the quantum master equation as well as the nonequilibrium Green's function technique. We benchmark this scheme on two experimentally relevant systems in the single-electron transistor regime: an electron-electron interaction based quantum diode and a triple quantum dot ring junction, which both feature negative differential conductance. The results of this method improve significantly with respect to the plain quantum master equation treatment at modest additional computational cost.
Theory of psychological adaptive modes.
Lehti, Juha
2016-05-01
When an individual is facing a stressor and normal stress-response mechanism cannot guarantee sufficient adaptation, special emotional states, adaptive modes, are activated (for example a depressive reaction). Adaptive modes are involuntary states of mind, they are of comprehensive nature, they interfere with normal functioning, and they cannot be repressed or controlled the same way as many emotions. Their transformational nature differentiates them from other emotional states. The object of the adaptive mode is to optimize the problem-solving abilities according to the situation that has provoked the mode. Cognitions and emotions during the adaptive mode are different than in a normal mental state. These altered cognitions and emotional reactions guide the individual to use the correct coping skills in order to deal with the stressor. Successful adaptation will cause the adaptive mode to fade off since the adaptive mode is no longer necessary, and the process as a whole will lead to raised well-being. However, if the adaptation process is inadequate, then the transformation period is prolonged, and the adaptive mode will turn into a dysfunctional state. Many psychiatric disorders are such maladaptive processes. The maladaptive processes can be turned into functional ones by using adaptive skills that are used in functional adaptive processes. PMID:27063089
Adiabaticity and gravity theory independent conservation laws for cosmological perturbations
NASA Astrophysics Data System (ADS)
Romano, Antonio Enea; Mooij, Sander; Sasaki, Misao
2016-04-01
We carefully study the implications of adiabaticity for the behavior of cosmological perturbations. There are essentially three similar but different definitions of non-adiabaticity: one is appropriate for a thermodynamic fluid δPnad, another is for a general matter field δPc,nad, and the last one is valid only on superhorizon scales. The first two definitions coincide if cs2 = cw2 where cs is the propagation speed of the perturbation, while cw2 = P ˙ / ρ ˙ . Assuming the adiabaticity in the general sense, δPc,nad = 0, we derive a relation between the lapse function in the comoving slicing Ac and δPnad valid for arbitrary matter field in any theory of gravity, by using only momentum conservation. The relation implies that as long as cs ≠cw, the uniform density, comoving and the proper-time slicings coincide approximately for any gravity theory and for any matter field if δPnad = 0 approximately. In the case of general relativity this gives the equivalence between the comoving curvature perturbation Rc and the uniform density curvature perturbation ζ on superhorizon scales, and their conservation. This is realized on superhorizon scales in standard slow-roll inflation. We then consider an example in which cw =cs, where δPnad = δPc,nad = 0 exactly, but the equivalence between Rc and ζ no longer holds. Namely we consider the so-called ultra slow-roll inflation. In this case both Rc and ζ are not conserved. In particular, as for ζ, we find that it is crucial to take into account the next-to-leading order term in ζ's spatial gradient expansion to show its non-conservation, even on superhorizon scales. This is an example of the fact that adiabaticity (in the thermodynamic sense) is not always enough to ensure the conservation of Rc or ζ.
Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids
Marshall, Bennett D. Chapman, Walter G.
2013-12-07
We develop a resummed thermodynamic perturbation theory for bond cooperativity in associating fluids by extension of Wertheim's multi-density formalism. We specifically consider the case of an associating hard sphere with two association sites and both pairwise and triplet contributions to the energy, such that the first bond in an associated cluster receives an energy −ε{sup (1)} and each subsequent bond in the cluster receives an energy −ε{sup (2)}. To test the theory we perform new Monte Carlo simulations for potentials of this type. Theory and simulation are found to be in excellent agreement. We show that decreasing the energetic benefit of hydrogen bonding can actually result in a decrease in internal energy in the fluid. We also predict that when ε{sup (1)} = 0 and ε{sup (2)} is nonzero there is a transition temperature where the system transitions from a fluid of monomers to a mixture of monomers and very long chains.
Staggered chiral perturbation theory in the two-flavor case
Du Xining
2010-07-01
I study two-flavor staggered chiral perturbation theory in the light pseudoscalar sector. The pion mass and decay constant are calculated through next-to-leading order in the partially-quenched case. In the limit where the strange quark mass is large compared to the light quark masses and the taste splittings, I show that the SU(2) staggered chiral theory emerges from the SU(3) staggered chiral theory, as expected. Explicit relations between SU(2) and SU(3) low energy constants and taste-violating parameters are given. The results are useful for SU(2) chiral fits to asqtad data and allow one to incorporate effects from varying strange quark masses.
Electroproduction of pions at threshold in chiral perturbation theory
Lee, T.S.H.; Bernard, V.; Kaiser, N.; Meissner, U.G.
1995-08-01
The electroproduction of pions off protons close to threshold is studied within the framework of baryon chiral perturbation theory. The approach is based on the fundamental QCD property that at low energies the strong interactions are dictated by the spontaneously broken chiral symmetry. The calculation was done up to the 1-loop level by carrying out order-by-order renormalization procedures. A thorough study of the low-energy theorems related to electroproduction of pions was carried out. Our study showed how the axial radius of the nucleon can be related to the S-wave multipoles E{sub 0+}{sup (-)} and L{sub 0+}{sup (-)}.
Resonant Perturbation Theory of Decoherence and Relaxation of Quantum Bits
Merkli, M.; Berman, G. P.; Sigal, I. M.
2010-01-01
We describe our recenmore » t results on the resonant perturbation theory of decoherence and relaxation for quantum systems with many qubits. The approach represents a rigorous analysis of the phenomenon of decoherence and relaxation for general N -level systems coupled to reservoirs of bosonic fields. We derive a representation of the reduced dynamics valid for all times t ≥ 0 and for small but fixed interaction strength. Our approach does not involve master equation approximations and applies to a wide variety of systems which are not explicitly solvable.« less
Perturbative vacuum wavefunctional for gauge theories in the Milne space
NASA Astrophysics Data System (ADS)
Jeon, Sangyong; Epelbaum, Thomas
2016-01-01
The spectrum of vacuum fluctuations in the Milne space (i.e. the τ - η coordinate system) is an important ingredient in the thermalization studies in relativistic heavy ion collisions. In this paper, the Schrödinger functional for the gauge theory perturbative vacuum is derived for the Milne space. The Wigner-transform of the corresponding vacuum density functional is also found together with the propagators. We finally identify the fluctuation spectrum in vacuum, and show the equivalence between the present approach and the symplectic product based method (Dusling et al., 2011; Epelbaum and Gelis, 2013).
Chiral perturbation theory and off-shell electromagnetic form factors
Rudy, T.E.; Fearing, H.W.; Scherer, S.
1995-05-10
The off-shell electromagnetic vertex of pions and kaons is calculated to {ital O}({ital p}{sup 4}) in the momentum expansion within the framework of chiral perturbation theory to one loop. The formalism of Gasser and Leutwyler is extended to accommodate the most general form for off-shell Green`s functions in the pseudoscalar meson sector. To that end we identify the structures at {ital O}({ital p}{sup 4}) which were initially removed by using the equation of motion of the lowest-order lagrangian. {copyright} {ital 1995} {ital American} {ital Institute} {ital of} {ital Physics}.
Stochastic perturbed systems: Theory and practice of Karman vortex streets
NASA Astrophysics Data System (ADS)
Holtfort, Joerg
1991-05-01
In the theory of randomly perturbed dynamical systems developed by Friedlin and Wentzell, the potential of a vectorfield is generalized to the so called quasipotential. For general nonlinear systems, the quasipotential turns out to be nondifferentiable along certain lines. These lines are investigated numerically for bistable systems with at least one limit cycle. It is found that even for strong nonlinearity, the quasipotential remains smooth in a finite neighborhood of the stable limit cycle. This formalism is used for the reconstruction of dynamical systems for measured time series. The method is successfully applied to velocity measurements in a Karman vortex street at Reynolds numbers 60 to 150.
Perturbation theory of a classical one-component plasma
Lee, J.W.; Ree, F.H.
1988-12-01
We have extended a recent perturbation theory (J. Chem. Phys. 82, 414 (1985); 84, 4547 (1986)) for nonionic systems to the one-component plasma (OCP). Characteristic features of the theory are its ability to handle both fluids and solids and the use of a reference potential whose repulsive range shrinks with density. Based on the computed thermodynamic data, we have developed a simple alternative (optimized hard-sphere) model, whose Helmholtz free energy is a sum of the Helmholtz free energy of the hard-sphere reference system and the Madelung energy of a fcc lattice. Comparison with available Monte Carlo and other theoretical results shows that the optimized hard-sphere model gives reliable solid (fcc) and fluid properties. The theory predicts that the fcc solid will melt at the Coulomb coupling parameter GAMMAsub m/ = 208 versus Helfer et al.'s (J. Stat. Phys. 37, 577 (1984)) Monte Carlo value of 196. This difference is due to a small difference (0.1%) in the computed excess free energy. The computed internal energy can be accurately fitted by an analytic form. Its two leading terms (for the fluid) are -0.899488GAMMA1.272 97GAMMAsup 1/4/, in close agreement with Slattery et al.'s (Phys. Rev. A 21, 2087 (1980); 26, 2255 (1982)) empirical fit to their Monte Carlo data. We conclude that the hard-sphere perturbation theory is applicable to a long-range repulsive system, such as the OCP, so long as the hard-sphere diameter is judiciously chosen by using a density-dependent reference potential.
Adiabatic perturbation theory of electronic stopping in insulators
NASA Astrophysics Data System (ADS)
Horsfield, Andrew P.; Lim, Anthony; Foulkes, W. M. C.; Correa, Alfredo A.
2016-06-01
A model able to explain the complicated structure of electronic stopping at low velocities in insulating materials is presented. It is shown to be in good agreement with results obtained from time-dependent density-functional theory for the stopping of a channeling Si atom in a Si crystal. If we define the repeat frequency f =v /λ , where λ is the periodic repeat length of the crystal along the direction the channeling atom is traveling, and v is the velocity of the channeling atom, we find that electrons experience a perturbing force that varies in time at integer multiples l of f . This enables electronic excitations at low atom velocity, but their contributions diminish rapidly with increasing values of l . The expressions for stopping power are derived using adiabatic perturbation theory for many-electron systems, and they are then specialized to the case of independent electrons. A simple model for the nonadiabatic matrix elements is described, along with the procedure for determining its parameters.
A general theory of linear cosmological perturbations: scalar-tensor and vector-tensor theories
NASA Astrophysics Data System (ADS)
Lagos, Macarena; Baker, Tessa; Ferreira, Pedro G.; Noller, Johannes
2016-08-01
We present a method for parametrizing linear cosmological perturbations of theories of gravity, around homogeneous and isotropic backgrounds. The method is sufficiently general and systematic that it can be applied to theories with any degrees of freedom (DoFs) and arbitrary gauge symmetries. In this paper, we focus on scalar-tensor and vector-tensor theories, invariant under linear coordinate transformations. In the case of scalar-tensor theories, we use our framework to recover the simple parametrizations of linearized Horndeski and ``Beyond Horndeski'' theories, and also find higher-derivative corrections. In the case of vector-tensor theories, we first construct the most general quadratic action for perturbations that leads to second-order equations of motion, which propagates two scalar DoFs. Then we specialize to the case in which the vector field is time-like (à la Einstein-Aether gravity), where the theory only propagates one scalar DoF. As a result, we identify the complete forms of the quadratic actions for perturbations, and the number of free parameters that need to be defined, to cosmologically characterize these two broad classes of theories.
Perturbative Interpretation of Adaptive Thouless-Anderson-Palmer Free Energy
NASA Astrophysics Data System (ADS)
Yasuda, Muneki; Takahashi, Chako; Tanaka, Kazuyuki
2016-07-01
In conventional well-known derivation methods for the adaptive Thouless-Anderson-Palmer (TAP) free energy, special assumptions that are difficult to mathematically justify except in some mean-field models, must be made. Here, we present a new adaptive TAP free energy derivation method. Using this derivation technique, without any special assumptions, the adaptive TAP free energy can be simply obtained as a high-temperature expansion of the Gibbs free energy.
Sensitivity analysis of state-specific multireference perturbation theory
NASA Astrophysics Data System (ADS)
Szabados, Ágnes
2011-05-01
State-specific multireference perturbation theory (SS-MRPT) developed by Mukherjee et al. [Int. J. Mol. Sci. 3, 733 (2002)] is examined focusing on the dependence of the perturbed energy on the initial model space coefficients. It has been observed earlier, that non-physical kinks may appear on the potential energy surface obtained by SS-MRPT while related coupled-cluster methods may face convergence difficulties. Though exclusion or damping of the division by small coefficients may alleviate the problem, it is demonstrated here that the effect does not originate in an ill-defined division. It is shown that non-negligible model space coefficients may also be linked with the problem. Sensitivity analysis is suggested as a tool for detecting the coefficient responsible. By monitoring the singular values of sensitivity matrices, orders of magnitude increase is found in the largest value, in the vicinity of the problematic geometry point on the potential energy surface. The drastic increase of coefficient sensitivities is found to be linked with a degeneracy of the target root of the effective Hamiltonian. The nature of the one-electron orbitals has a profound influence on the picture: a rotation among active orbitals may screen or worsen the effect.
Some Deviations Associated With Vector Perturbation Diffraction Theory
NASA Astrophysics Data System (ADS)
Stover, John C.; Hourmand, Bahrarr
1985-01-01
Last year at this conference our lab presented some data which strongly supports the use of the vector perturbation relationship between light scattered from smooth surfaces and the surface power spectral density (PSD). Last year's data showed that a consistent answer was obtained for the PSD for measurements taken with S and P polarization, with incident angles up to 45', for positive and negative sweeps, and for one and two dimensional samples. If in fact the theoretical relationship is correct then this must be the case, as the PSD is determined by a combination of surface topography and the scattering situation (geometry, polarization, wavelength, etc.). It appears, however that for large scatter angles (>700) and for large angles of incidence (>60 °) there is some deviation in the calculated PSD. In addition, the high angle scatter region is an area where a scatterometer with a semicircular detector sweep loses the one-to-one relationship between detector position and surface spatial frequency. Or, in other words, light diffracted to high scatter angles from single spatial frequencies appears over a small band on the observation semicircle instead of a diffraction limited point. Fata supporting these two deviations is presented. Although they are not regarded as serious violations of the vector perturbation theory they do impose a limit on the useful range over which the PSD may be calculated.
Frequency-domain direct waveform inversion based on perturbation theory
NASA Astrophysics Data System (ADS)
Kwak, Sangmin; Kim, Youngseo; Shin, Changsoo
2014-05-01
A direct waveform inversion based on perturbation theory is proposed to delineate a subsurface velocity structure from seismic data. This technique can directly compute the difference between the actual subsurface velocity and an initial guess of the velocity, while full waveform inversion updates the velocity model in the directions of reducing the data residual. Unlike full waveform inversion using the steepest descent method, the direct waveform inversion does not require a proper step length to iteratively update the velocity model. We present an algorithm for the waveform inversion method in the frequency domain and numerical examples demonstrating how the inversion method can reconstruct subsurface velocity structures using surface seismic data. The time-domain seismograms synthesized in the inversion procedure match the corresponding shot-gather seismograms of field data.
Discrete perturbation theory for continuous soft-core potential fluids.
Cervantes, L A; Jaime-Muñoz, G; Benavides, A L; Torres-Arenas, J; Sastre, F
2015-03-21
In this work, we present an equation of state for an interesting soft-core continuous potential [G. Franzese, J. Mol. Liq. 136, 267 (2007)] which has been successfully used to model the behavior of single component fluids that show some water-type anomalies. This equation has been obtained using discrete perturbation theory. It is an analytical expression given in terms of density, temperature, and the set of parameters that characterize the intermolecular interaction. Theoretical results for the vapor-liquid phase diagram and for supercritical pressures are compared with previous and new simulation data and a good agreement is found. This work also clarifies discrepancies between previous Monte Carlo and molecular dynamics simulation results for this potential. PMID:25796255
Determination of the Sediment Carrying Capacity Based on Perturbed Theory
Ni, Zhi-hui; Zeng, Qiang; Li-chun, Wu
2014-01-01
According to the previous studies of sediment carrying capacity, a new method of sediment carrying capacity on perturbed theory was proposed. By taking into account the average water depth, average flow velocity, settling velocity, and other influencing factors and introducing the median grain size as one main influencing factor in deriving the new formula, we established a new sediment carrying capacity formula. The coefficients were determined by the principle of dimensional analysis, multiple linear regression method, and the least square method. After that, the new formula was verified through measuring data of natural rivers and flume tests and comparing the verified results calculated by Cao Formula, Zhang Formula, Li Formula, Engelung-Hansen Formula, Ackers-White Formula, and Yang Formula. According to the compared results, it can be seen that the new method is of high accuracy. It could be a useful reference for the determination of sediment carrying capacity. PMID:25136652
The entry-exit function and geometric singular perturbation theory
NASA Astrophysics Data System (ADS)
De Maesschalck, Peter; Schecter, Stephen
2016-04-01
For small ε > 0, the system x ˙ = ε, z ˙ = h (x , z , ε) z, with h (x , 0 , 0) < 0 for x < 0 and h (x , 0 , 0) > 0 for x > 0, admits solutions that approach the x-axis while x < 0 and are repelled from it when x > 0. The limiting attraction and repulsion points are given by the well-known entry-exit function. For h (x , z , ε) z replaced by h (x , z , ε)z2, we explain this phenomenon using geometric singular perturbation theory. We also show that the linear case can be reduced to the quadratic case, and we discuss the smoothness of the return map to the line z =z0, z0 > 0, in the limit ε → 0.
Virtual Compton scattering off the nucleon in chiral perturbation theory
Hemmert, T.R.; Holstein, B.R.; Knoechlein, G.; Scherer, S.
1997-03-01
We investigate the spin-independent part of the virtual Compton scattering (VCS) amplitude off the nucleon within the framework of chiral perturbation theory. We perform a consistent calculation to third order in external momenta according to Weinberg`s power counting. With this calculation we can determine the second- and fourth-order structure-dependent coefficients of the general low-energy expansion of the spin-averaged VCS amplitude based on gauge invariance, crossing symmetry, and the discrete symmetries. We discuss the kinematical regime to which our calculation can be applied and compare our expansion with the multipole expansion by Guichon, Liu, and Thomas. We establish the connection of our calculation with the generalized polarizabilities of the nucleon where it is possible. {copyright} {ital 1997} {ital The American Physical Society}
Stochastic many-body perturbation theory for anharmonic molecular vibrations
NASA Astrophysics Data System (ADS)
Hermes, Matthew R.; Hirata, So
2014-08-01
A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm-1 and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.
Stochastic many-body perturbation theory for anharmonic molecular vibrations
Hermes, Matthew R.; Hirata, So
2014-08-28
A new quantum Monte Carlo (QMC) method for anharmonic vibrational zero-point energies and transition frequencies is developed, which combines the diagrammatic vibrational many-body perturbation theory based on the Dyson equation with Monte Carlo integration. The infinite sums of the diagrammatic and thus size-consistent first- and second-order anharmonic corrections to the energy and self-energy are expressed as sums of a few m- or 2m-dimensional integrals of wave functions and a potential energy surface (PES) (m is the vibrational degrees of freedom). Each of these integrals is computed as the integrand (including the value of the PES) divided by the value of a judiciously chosen weight function evaluated on demand at geometries distributed randomly but according to the weight function via the Metropolis algorithm. In this way, the method completely avoids cumbersome evaluation and storage of high-order force constants necessary in the original formulation of the vibrational perturbation theory; it furthermore allows even higher-order force constants essentially up to an infinite order to be taken into account in a scalable, memory-efficient algorithm. The diagrammatic contributions to the frequency-dependent self-energies that are stochastically evaluated at discrete frequencies can be reliably interpolated, allowing the self-consistent solutions to the Dyson equation to be obtained. This method, therefore, can compute directly and stochastically the transition frequencies of fundamentals and overtones as well as their relative intensities as pole strengths, without fixed-node errors that plague some QMC. It is shown that, for an identical PES, the new method reproduces the correct deterministic values of the energies and frequencies within a few cm{sup −1} and pole strengths within a few thousandths. With the values of a PES evaluated on the fly at random geometries, the new method captures a noticeably greater proportion of anharmonic effects.
Orbit of a lunar artificial satellite: Analytical theory of perturbations
NASA Astrophysics Data System (ADS)
de Saedeleer, B.; Henrard, J.
2005-04-01
We are currently developing an analytical theory of an artificial satellite of the Moon. It is an interesting problem because the dynamics of a lunar orbiter is quite different from that of an artificial satellite of the Earth, by at least two aspects: the J_2 lunar gravity term is only 1/10 of the C_{22} term and the third body effect of the Earth on the lunar satellite is much larger than the effect of the Moon on a terrestrial satellite. So we have to account at least for these larger perturbations. We use here the method of the Lie Transform as perturbation method. The Hamiltonian of the problem is first averaged over the fast angle, in canonical variables. The solution is developed in powers of the small factors linked to n_{Moon}, J_2, C_{22} and to the Earth's position. The Earth location is determined by the lunar theory ELP2000 (Chapront-Touzé & Chapront 1991) from which we take the leading terms. Series developments are made with our home-made Algebraic Manipulator, the MM (standing for "Moon's series Manipulator"). The results are obtained in a closed form, without any series developments in eccentricity or inclination. So the solution applies for a wide range of values, except for few isolated critical values. We Achieved, among others, second order results for the combined effect of J_2 and C_{22}. As a side result, we were able to check the second order generator W_{2} given by Kozai for the effect of the J_2 term on an artificial satellite.
Renal transport of taurine adapts to perturbed taurine homeostasis.
Rozen, R; Scriver, C R
1982-01-01
Renal adaptation apparently contributes to the homeostasis of taurine, a beta-amino compound that behaves as a conserved metabolite in the mammal. We studied two strains of inbred mice: C3H/HeJ (low-taurine excreter) and C57BL/6J (high-taurine excreter due to impaired basolateral membrane permeability to taurine). Low-protein and low-sulfur amino acid diets fed for two weeks significantly decreased plasma taurine in both strains, decreased fractional taurine excretion in vivo (particularly in the C57BL strain), and increased net uptake of taurine by renal cortex slices and isolated brush-border membrane vesicles (BBMV) in vitro in both strains. Renal adaptation was less obvious in vivo in the low-taurine excreter C3H strain, but in vitro adaptation, as observed in slices and BBMV (P less than 0.01), was greater than that observed in the C57BL strain. Renal cellular taurine content fell (P less than 0.01) only in the adapted C3H strain. The in vitro adaptive response was not confined to taurine; BBMV uptake of D-glucose and L-alanine was also enhanced in the adapted state. Specificity of the stimulus for adaptation was tested with a low-phenylalanine diet; a modest adaptation was observed in vivo and in vitro but only in the C3H strain. BBMV adaptation did not correlate with blood methionine but correlated inversely with plasma taurine (r = 0.71, P less than 0.05), implying that change in extracellular taurine may be a signal for renal adaptation in taurine homeostasis in the mammal. PMID:6952257
Determination of partial molar volumes from free energy perturbation theory.
Vilseck, Jonah Z; Tirado-Rives, Julian; Jorgensen, William L
2015-04-01
Partial molar volume is an important thermodynamic property that gives insights into molecular size and intermolecular interactions in solution. Theoretical frameworks for determining the partial molar volume (V°) of a solvated molecule generally apply Scaled Particle Theory or Kirkwood-Buff theory. With the current abilities to perform long molecular dynamics and Monte Carlo simulations, more direct methods are gaining popularity, such as computing V° directly as the difference in computed volume from two simulations, one with a solute present and another without. Thermodynamically, V° can also be determined as the pressure derivative of the free energy of solvation in the limit of infinite dilution. Both approaches are considered herein with the use of free energy perturbation (FEP) calculations to compute the necessary free energies of solvation at elevated pressures. Absolute and relative partial molar volumes are computed for benzene and benzene derivatives using the OPLS-AA force field. The mean unsigned error for all molecules is 2.8 cm(3) mol(-1). The present methodology should find use in many contexts such as the development and testing of force fields for use in computer simulations of organic and biomolecular systems, as a complement to related experimental studies, and to develop a deeper understanding of solute-solvent interactions. PMID:25589343
Entanglement Perturbation Theory for Antiferromagnetic Heisenberg Spin Chains
NASA Astrophysics Data System (ADS)
Wang, Lihua; Chung, Sung Gong
2012-11-01
A recently developed numerical method, entanglement perturbation theory (EPT), is used to study the antiferromagnetic Heisenberg spin chains with z-axis anisotropy λ and magnetic field B. To demonstrate its accuracy, we first apply EPT to the isotropic spin-1/2 antiferromagnetic Heisenberg model, and find that EPT successfully reproduces the exact Bethe ansatz results for the ground state energy, the local magnetization, and the spin correlation functions (Bethe ansatz result is available for the first seven lattice separations). In particular, EPT confirms for the first time the asymptotic behavior of the spin correlation functions predicted by the conformal field theory, which realizes only for lattice separations larger than 1000. Next, turning on the z-axis anisotropy and the magnetic field, the 2- and 4-spin correlation functions are calculated, and the results are compared with those obtained by bosonization and density matrix renormalization group methods. Finally, for the spin-1 antiferromagnetic Heisenberg model, the ground state phase diagram in λ space is determined by Roomany--Wyld renormalization group (RG) finite size scaling. The results are in good agreement with those obtained by the level-spectroscopy method.
Polarizability of the pion: No conflict between dispersion theory and chiral perturbation theory
Pasquini, B.; Drechsel, D.; Scherer, S.
2008-06-15
Recent attempts to determine the pion polarizability by dispersion relations yield values that disagree with the predictions of chiral perturbation theory. These dispersion relations are based on specific forms for the absorptive part of the Compton amplitudes. The analytic properties of these forms are examined, and the strong enhancement of intermediate-meson contributions is shown to be connected with spurious singularities. If the basic requirements of dispersion relations are taken into account, the results of dispersion theory and effective field theory are not inconsistent.
A stochastic perturbation theory for non-autonomous systems
Moon, W.; Wettlaufer, J. S.
2013-12-15
We develop a perturbation theory for a class of first order nonlinear non-autonomous stochastic ordinary differential equations that arise in climate physics. The perturbative procedure produces moments in terms of integral delay equations, whose order by order decay is characterized in a Floquet-like sense. Both additive and multiplicative sources of noise are discussed and the question of how the nature of the noise influences the results is addressed theoretically and numerically. By invoking the Martingale property, we rationalize the transformation of the underlying Stratonovich form of the model to an Ito form, independent of whether the noise is additive or multiplicative. The generality of the analysis is demonstrated by developing it both for a Brownian particle moving in a periodically forced quartic potential, which acts as a simple model of stochastic resonance, as well as for our more complex climate physics model. The validity of the approach is shown by comparison with numerical solutions. The particular climate dynamics problem upon which we focus involves a low-order model for the evolution of Arctic sea ice under the influence of increasing greenhouse gas forcing ΔF{sub 0}. The deterministic model, developed by Eisenman and Wettlaufer [“Nonlinear threshold behavior during the loss of Arctic sea ice,” Proc. Natl. Acad. Sci. U.S.A. 106(1), 28–32 (2009)] exhibits several transitions as ΔF{sub 0} increases and the stochastic analysis is used to understand the manner in which noise influences these transitions and the stability of the system.
Combined coupled-cluster and many-body perturbation theories
NASA Astrophysics Data System (ADS)
Hirata, So; Fan, Peng-Dong; Auer, Alexander A.; Nooijen, Marcel; Piecuch, Piotr
2004-12-01
Various approximations combining coupled-cluster (CC) and many-body perturbation theories have been derived and implemented into the parallel execution programs that take into account the spin, spatial (real Abelian), and permutation symmetries and that are applicable to closed- and open-shell molecules. The implemented models range from the CCSD(T), CCSD[T], CCSD(2)T, CCSD(2)TQ, and CCSDT(2)Q methods to the completely renormalized (CR) CCSD(T) and CCSD[T] approaches, where CCSD (CCSDT) stands for the CC method with connected single and double (single, double, and triple) cluster operators, and subscripted or parenthesized 2, T, and Q indicate the perturbation order or the excitation ranks of the cluster operators included in the corrections. The derivation and computer implementation have been automated by the algebraic and symbolic manipulation program TENSOR CONTRACTION ENGINE (TCE). The TCE-synthesized subroutines generate the tensors with the highest excitation rank in a blockwise manner so that they need not be stored in their entirety, while enabling the efficient reuse of other precalculated intermediate tensors defined by prioritizing the memory optimization as well as operation minimization. Consequently, the overall storage requirements for the corrections due to connected triple and quadruple cluster operators scale as O(n4) and O(n6), respectively (n being a measure of the system size). For systems with modest multireference character of their wave functions, we found that the order of accuracy is CCSD
Singular perturbation theory for predicting extravasation of Brownian particles
Shah, Preyas; Fitzgibbon, Sean; Narsimhan, Vivek; Shaqfeh, Eric S. G.
2013-01-01
Motivated by recent studies on tumor treatments using the drug delivery of nanoparticles, we provide a singular perturbation theory and perform Brownian dynamics simulations to quantify the extravasation rate of Brownian particles in a shear flow over a circular pore with a lumped mass transfer resistance. The analytic theory we present is an expansion in the limit of a vanishing Péclet number (P), which is the ratio of convective fluxes to diffusive fluxes on the length scale of the pore. We state the concentration of particles near the pore and the extravasation rate (Sherwood number) to O(P1/2). This model improves upon previous studies because the results are valid for all values of the particle mass transfer coefficient across the pore, as modeled by the Damköhler number (κ), which is the ratio of the reaction rate to the diffusive mass transfer rate at the boundary. Previous studies focused on the adsorption-dominated regime (i.e., κ → ∞). Specifically, our work provides a theoretical basis and an interpolation-based approximate method for calculating the Sherwood number (a measure of the extravasation rate) for the case of finite resistance [κ ~ O(1)] at small Péclet numbers, which are physiologically important in the extravasation of nanoparticles. We compare the predictions of our theory and an approximate method to Brownian dynamics simulations with reflection–reaction boundary conditions as modeled by κ. They are found to agree well at small P and for the κ ≪ 1 and κ ≫ 1 asymptotic limits representing the diffusion-dominated and adsorption-dominated regimes, respectively. Although this model neglects the finite size effects of the particles, it provides an important first step toward understanding the physics of extravasation in the tumor vasculature. PMID:24563548
NASA Technical Reports Server (NTRS)
Nguyen, Nhan T.; Ishihara, Abraham; Stepanyan, Vahram; Boskovic, Jovan
2009-01-01
Recently a new optimal control modification has been introduced that can achieve robust adaptation with a large adaptive gain without incurring high-frequency oscillations as with the standard model-reference adaptive control. This modification is based on an optimal control formulation to minimize the L2 norm of the tracking error. The optimal control modification adaptive law results in a stable adaptation in the presence of a large adaptive gain. This study examines the optimal control modification adaptive law in the context of a system with a time scale separation resulting from a fast plant with a slow actuator. A singular perturbation analysis is performed to derive a modification to the adaptive law by transforming the original system into a reduced-order system in slow time. The model matching conditions in the transformed time coordinate results in increase in the feedback gain and modification of the adaptive law.
Time-dependent perturbation theory in quantum mechanics and the renormalization group
NASA Astrophysics Data System (ADS)
Bhattacharjee, J. K.; Ray, D. S.
2016-06-01
Time-dependent perturbation theory in quantum mechanics is divergent at long times when the perturbation induces a resonance between two eigenstates of the unperturbed Hamiltonian. Divergences in perturbation theory are also common in quantum field theory and in critical phenomena. The renormalization group (RG) was designed to deal with these divergences. In the last two decades, this procedure has been extended to dynamical systems where the perturbation theory diverges in the long-time limit. In this article, we first review the connection between RG in the context of field theory and RG in the context of dynamical systems. We then show that the long-time divergence in the resonant situation in the time-dependent perturbation theory in quantum mechanics can be removed by using a RG-aided calculational scheme.
Hyperfine Coupling Constants from Internally Contracted Multireference Perturbation Theory.
Shiozaki, Toru; Yanai, Takeshi
2016-09-13
We present an accurate method for calculating hyperfine coupling constants (HFCCs) based on the complete active space second-order perturbation theory (CASPT2) with full internal contraction. The HFCCs are computed as a first-order property using the relaxed CASPT2 spin-density matrix that takes into account orbital and configurational relaxation due to dynamical electron correlation. The first-order unrelaxed spin-density matrix is calculated from one- and two-body spin-free counterparts that are readily available in the CASPT2 nuclear gradient program [M. K. MacLeod and T. Shiozaki, J. Chem. Phys. 142, 051103 (2015)], whereas the second-order part is computed directly using the newly extended automatic code generator. The relaxation contribution is then calculated from the so-called Z-vectors that are available in the CASPT2 nuclear gradient program. Numerical results are presented for the CN and AlO radicals, for which the CASPT2 values are comparable (or, even superior in some cases) to the ones computed by the coupled-cluster and density matrix renormalization group methods. The HFCCs for the hexaaqua complexes with V(II), Cr(III), and Mn(II) are also presented to demonstrate the accuracy and efficiency of our code. PMID:27479148
Equation-of-motion coupled cluster perturbation theory revisited
Eriksen, Janus J. Jørgensen, Poul; Olsen, Jeppe; Gauss, Jürgen
2014-05-07
The equation-of-motion coupled cluster (EOM-CC) framework has been used for deriving a novel series of perturbative corrections to the coupled cluster singles and doubles energy that formally converges towards the full configuration interaction energy limit. The series is based on a Møller-Plesset partitioning of the Hamiltonian and thus size extensive at any order in the perturbation, thereby remedying the major deficiency inherent to previous perturbation series based on the EOM-CC ansatz.
Adaptive strategies of remote systems operators exposed to perturbed camera-viewing conditions
NASA Technical Reports Server (NTRS)
Stuart, Mark A.; Manahan, Meera K.; Bierschwale, John M.; Sampaio, Carlos E.; Legendre, A. J.
1991-01-01
This report describes a preliminary investigation of the use of perturbed visual feedback during the performance of simulated space-based remote manipulation tasks. The primary objective of this NASA evaluation was to determine to what extent operators exhibit adaptive strategies which allow them to perform these specific types of remote manipulation tasks more efficiently while exposed to perturbed visual feedback. A secondary objective of this evaluation was to establish a set of preliminary guidelines for enhancing remote manipulation performance and reducing the adverse effects. These objectives were accomplished by studying the remote manipulator performance of test subjects exposed to various perturbed camera-viewing conditions while performing a simulated space-based remote manipulation task. Statistical analysis of performance and subjective data revealed that remote manipulation performance was adversely affected by the use of perturbed visual feedback and performance tended to improve with successive trials in most perturbed viewing conditions.
Optimized perturbation theory applied to jet cross sections in e + e - annihilation
NASA Astrophysics Data System (ADS)
Kramer, G.; Lampe, B.
1988-03-01
The optimized perturbation theory proposed by Stevenson to deal with coupling constant scheme dependence is applied to the calculation of π tot and jet multiplicities in e + e - annihilation. The results are compared with those of simple perturbation theory and with recent experimental cluster multiplicities.
Theory of Perturbed Equilibria for Solving the Grad-Shafranov Equation
A. Pletzer; L.E. Zakharov
1999-07-01
The theory of perturbed magnetohydrodynamic equilibria is presented for different formulations of the tokamak equilibrium problem. For numerical codes, it gives an explicit Newton scheme for solving the Grad-Shafranov equation subject to different constraints. The problem of stability of axisymmetric modes is shown to be a particular case of the equilibrium perturbation theory.
Applications of adaptive state estimation theory
NASA Technical Reports Server (NTRS)
Moose, R. L.; Vanlandingham, H. F.; Mccabe, D. H.
1980-01-01
Two main areas of application of adaptive state estimation theory are presented. Following a review of the basic estimation approach, its application to both the control of nonlinear plants and to the problem of tracking maneuvering targets is presented. Results are brought together from these two areas of investigation to provide insight into the wide range of possible applications of the general estimation method.
Adaptive piezoelectric shell structures: theory and experiments
NASA Astrophysics Data System (ADS)
Tzou, H. S.; Zhong, J. P.
1993-07-01
Active "smart" space and mechanical structures with adaptive dynamic characteristics have long been interested in a variety of high-performance systems, e.g. flexible space structures, flexible robots, "smart" machines etc. In this paper, an active adaptive structure made of piezoelectric materials is proposed and evaluated. Electromechanical equations of motion and generalised boundary conditions of a generic piezoelectric shell subjected to mechanical and electrical excitations are derived using Hamilton's principle and the linear piezoelectric theory. The structural adaptivity is achieved by a voltage feedback (open or closed loops) utilising the converse piezoelectric effect. Applications of the theory is demonstrated in a bimorph beam case and a cylindrical shell case. Frequency manipulation of the bimorph beam is studied theoretically and experimentally. Damping control of the cylindrical shell via in-plane membrane forces is also investigated.
NASA Technical Reports Server (NTRS)
Dizio, P.; Lackner, J. R.
1995-01-01
1. Reaching movements made in a rotating room generate Coriolis forces that are directly proportional to the cross product of the room's angular velocity and the arm's linear velocity. Such Coriolis forces are inertial forces not involving mechanical contact with the arm. 2. We measured the trajectories of arm movements made in darkness to a visual target that was extinguished at the onset of each reach. Prerotation subjects pointed with both the right and left arms in alternating sets of eight movements. During rotation at 10 rpm, the subjects reached only with the right arm. Postrotation, the subjects pointed with the left and right arms, starting with the left, in alternating sets of eight movements. 3. The initial perrotary reaching movements of the right arm were highly deviated both in movement path and endpoint relative to the prerotation reaches of the right arm. With additional movements, subjects rapidly regained straight movement paths and accurate endpoints despite the absence of visual or tactile feedback about reaching accuracy. The initial postrotation reaches of the left arm followed straight paths to the wrong endpoint. The initial postrotation reaches of the right arm had paths with mirror image curvature to the initial perrotation reaches of the right arm but went to the correct endpoint. 4. These observations are inconsistent with current equilibrium point models of movement control. Such theories predict accurate reaches under our experimental conditions. Our observations further show independent implementation of movement and posture, as evidenced by transfer of endpoint adaptation to the nonexposed arm without transfer of path adaptation. Endpoint control may occur at a relatively central stage that represents general constraints such as gravitoinertial force background or egocentric direction relative to both arms, and control of path may occur at a more peripheral stage that represents moments of inertia and muscle dynamics unique to each
Gauge-invariant perturbation theory for trans-Planckian inflation
Shankaranarayanan, S.; Lubo, Musongela
2005-12-15
The possibility that the scale-invariant inflationary spectrum may be modified due to the hidden assumptions about the Planck scale physics--dubbed as trans-Planckian inflation--has received considerable attention. To mimic the possible trans-Planckian effects, among various models, modified dispersion relations have been popular in the literature. In almost all the earlier analyses, unlike the canonical scalar field driven inflation, the trans-Planckian effects are introduced to the scalar/tensor perturbation equations in an ad hoc manner--without calculating the stress tensor of the cosmological perturbations from the covariant Lagrangian. In this work, we perform the gauge-invariant cosmological perturbations for the single scalar-field inflation with the Jacobson-Corley dispersion relation by computing the fluctuations of all the fields including the unit-timelike vector field which defines a preferred rest frame. We show that: (i) The nonlinear effects introduce corrections only to the perturbed energy density. The corrections to the energy density vanish in the super-Hubble scales. (ii) The scalar perturbations, in general, are not purely adiabatic. (iii) The equation of motion of the Mukhanov-Sasaki variable corresponding to the inflaton field is different from those presumed in the earlier analyses. (iv) The tensor perturbation equation remains unchanged. We perform the classical analysis for the resultant system of equations and also compute the power spectrum of the scalar perturbations in a particular limit. We discuss the implications of our results and compare with the earlier results.
GNSS-derived Geocenter Coordinates Viewed by Perturbation Theory
NASA Astrophysics Data System (ADS)
Meindl, Michael; Beutler, Gerhard; Thaller, Daniela; Dach, Rolf; Jäggi, Adrian; Rothacher, Markus
2013-04-01
Time series of geocenter coordinates were determined with data of the two global navigation satellite systems (GNSS) GPS and GLONASS. The data was recorded in the years 2008-2011 by a global network of 92 combined GPS/GLONASS receivers. Two types of solutions were generated for each system, one including the estimation of geocenter coordinates and one without these parameters. A fair agreement for GPS and GLONASS estimates was found in the x- and y-coordinate series of the geocenter. Artifacts do, however, clearly show up in the z-coordinate. Large periodic variations in the GLONASS geocenter z-coordinates of about 40 cm peak-to-peak are related to the maximum elevation angles of the Sun above/below the orbital planes of the satellite system. A detailed analysis revealed that these artifacts are almost uniquely governed by the differences of the estimates of direct solar radiation pressure (SRP) in the two solution series (with and without geocenter estimation). This effect can be explained by first-order perturbation theory of celestial mechanics. The relation between the geocenter z-coordinate and the corresponding SRP parameters will be presented. Our theory is applicable to all satellite observing techniques. In addition to GNSS, we applied it to satellite laser ranging (SLR) solutions based on LAGEOS observations. The correlation between geocenter and SRP parameters is not a critical issue for SLR, because these parameters do not have to be estimated. This basic difference between SLR and GNSS analyses explains why SLR is an excellent tool to determine geodetic datum parameters like the geocenter coordinates. The correlation between orbit parameters and the z-component of the geocenter is not limited to a particular orbit model, e.g., that of CODE. The issue should be studied for alternative (e.g., box-wing) models: As soon as non-zero mean values (over one revolution) of the out-of-plane force component exist, one has to expect biased geocenter estimates. The
NASA Technical Reports Server (NTRS)
Bogdan, V. M.; Bond, V. B.
1980-01-01
The deviation of the solution of the differential equation y' = f(t, y), y(O) = y sub O from the solution of the perturbed system z' = f(t, z) + g(t, z), z(O) = z sub O was investigated for the case where f and g are continuous functions on I x R sup n into R sup n, where I = (o, a) or I = (o, infinity). These functions are assumed to satisfy the Lipschitz condition in the variable z. The space Lip(I) of all such functions with suitable norms forms a Banach space. By introducing a suitable norm in the space of continuous functions C(I), introducing the problem can be reduced to an equivalent problem in terminology of operators in such spaces. A theorem on existence and uniqueness of the solution is presented by means of Banach space technique. Norm estimates on the rate of growth of such solutions are found. As a consequence, estimates of deviation of a solution due to perturbation are obtained. Continuity of the solution on the initial data and on the perturbation is established. A nonlinear perturbation of the harmonic oscillator is considered a perturbation of equations of the restricted three body problem linearized at libration point.
Stochastic systems with delay: Perturbation theory for second order statistics
NASA Astrophysics Data System (ADS)
Frank, T. D.
2016-03-01
Within the framework of delay Fokker-Planck equations, a perturbation theoretical method is developed to determine second-order statistical quantities such as autocorrelation functions for stochastic systems with delay. Two variants of the perturbation theoretical approach are presented. The first variant is based on a non-local Fokker-Planck operator. The second variant requires to solve a Fokker-Planck equation with source term. It is shown that the two variants yield consistent results. The perturbation theoretical approaches are applied to study negative autocorrelations that are induced by feedback delays and mediated by the strength of the fluctuating forces that act on the feedback systems.
Regular perturbation theory of relativistic corrections: II. Algebraic approximation
NASA Astrophysics Data System (ADS)
Rutkowski, A.; Kozłowski, R.; Rutkowska, D.
2001-01-01
A four-component equivalent of the Schrödinger equation, describing both the nonrelativistic electron and the nonrelativistic positron, is introduced. The difference between this equation and the Dirac equation is treated as a perturbation. The relevant perturbation equations and formulas for corrections to the energy are derived. Owing to the semibounded character of the Schrödinger Hamiltonian of the unperturbed equation the variational perturbation method is formulated. The Hylleraas functionals become then either upper or lower bounds to the respective exact corrections to the energy. In order to demonstrate the usefulness of this approach to the problem of the variational optimization of nonlinear parameters, the perturbation corrections to wave functions for the of hydrogenlike atoms have been approximated in terms of exponential basis functions. The Dirac equation in this algebraic approximation is solved iteratively starting with the solution of the Schrödinger equation.
Mierau, Andreas; Hülsdünker, Thorben; Strüder, Heiko K.
2015-01-01
The compensation for a sudden balance perturbation, unpracticed and unpredictable in timing and magnitude is accompanied by pronounced postural instability that is suggested to be causal to falls. However, subsequent presentations of an identical perturbation are characterized by a marked decrease of the amplitude of postural reactions; a phenomenon called adaptation or habituation. This study aimed to identify cortical characteristics associated with adaptive behavior during repetitive balance perturbations based on single-trial analyses of the P1 and N1 perturbation-evoked potentials. Thirty-seven young men were exposed to ten transient balance perturbations while balancing on the dominant leg. Thirty two-channel electroencephalography (EEG), surface electromyography (EMG) of the ankle plantar flexor muscles and postural sway (i.e., Euclidean distance of the supporting platform) were recorded simultaneously. The P1 and N1 potentials were localized and the amplitude/latency was analyzed trial by trial. The best match sources for P1 and N1 potentials were located in the parietal (Brodmann area (BA) 5) and midline fronto-central cortex (BA 6), respectively. The amplitude and latency of the P1 potential remained unchanged over trials. In contrast, a significant adaptation of the N1 amplitude was observed. Similar adaptation effects were found with regard to postural sway and ankle plantarflexors EMG activity of the non-dominant (free) leg; i.e., an indicator for reduced muscular co-contraction and/or less temporary bipedal stance to regain stability. Significant but weak correlations were found between N1 amplitude and postural sway as well as EMG activity. These results highlight the important role of the midline fronto-central cortex for adaptive behavior associated with balance control. PMID:26528154
Dynamics of perturbations in Double Field Theory & non-relativistic string theory
NASA Astrophysics Data System (ADS)
Ko, Sung Moon; Melby-Thompson, Charles M.; Meyer, René; Park, Jeong-Hyuck
2015-12-01
Double Field Theory provides a geometric framework capable of describing string theory backgrounds that cannot be understood purely in terms of Riemannian geometry — not only globally (`non-geometry'), but even locally (`non-Riemannian'). In this work, we show that the non-relativistic closed string theory of Gomis and Ooguri [1] arises precisely as such a non-Riemannian string background, and that the Gomis-Ooguri sigma model is equivalent to the Double Field Theory sigma model of [2] on this background. We further show that the target-space formulation of Double Field Theory on this non-Riemannian background correctly reproduces the appropriate sector of the Gomis-Ooguri string spectrum. To do this, we develop a general semi-covariant formalism describing perturbations in Double Field Theory. We derive compact expressions for the linearized equations of motion around a generic on-shell background, and construct the corresponding fluctuation Lagrangian in terms of novel completely covariant second order differential operators. We also present a new non-Riemannian solution featuring Schrödinger conformal symmetry.
Cosmological density perturbations in a conformal scalar field theory
NASA Astrophysics Data System (ADS)
Libanov, M. V.; Rubakov, V. A.
2012-02-01
We consider a scenario in which primordial scalar perturbations are generated when a complex conformal scalar field rolls down its negative quartic potential. Initially, these are perturbations of the phase of this field, which are then converted into adiabatic perturbations of the density. The existence of perturbations in the radial field direction, which have a red power spectrum, is a potentially dangerous feature of this scenario. But we show that in the linear order in the small parameter, the self-coupling, the infrared effects are completely nullified by an appropriate field redefinition. We evaluate the statistical anisotropy inherent in the model because of the presence of the long-wave perturbations of the radial field component. In the linear order in the self-coupling, the infrared effects do not affect the statistical anisotropy. They are manifested only at the quadratic order in the self-coupling, weakly (logarithmically) enhancing the corresponding contribution to the statistical anisotropy. The resulting statistical anisotropy is a combination of a large term, which decreases as the momentum increases, and a momentum-independent nonamplified term.
An open-shell restricted Hartree-Fock perturbation theory based on symmetric spin orbitals
NASA Technical Reports Server (NTRS)
Lee, Timothy J.; Jayatilaka, Dylan
1993-01-01
A new open-shell perturbation theory is formulated in terms of symmetric spin orbitals. Only one set of spatial orbitals is required, thereby reducing the number of independent coefficients in the perturbed wavefunctions. For second order, the computational cost is shown to be similar to a closed-shell calculation. This formalism is therefore more efficient than the recently developed RMP, ROMP or RMP-MBPT theories. The perturbation theory described herein was designed to have a close correspondence with our recently proposed coupled-cluster theory based on symmetric spin orbitals. The first-order wavefunction contains contributions from only doubly excited determinants. Equilibrium structures and vibrational frequencies determined from second-order perturbation theory are presented for OH, NH, CH, 02, NH2 and CH2.
The 1/ N Expansion of Tensor Models Beyond Perturbation Theory
NASA Astrophysics Data System (ADS)
Gurau, Razvan
2014-09-01
We analyze in full mathematical rigor the most general quartically perturbed invariant probability measure for a random tensor. Using a version of the Loop Vertex Expansion (which we call the mixed expansion) we show that the cumulants write as explicit series in 1/ N plus bounded rest terms. The mixed expansion recasts the problem of determining the subleading corrections in 1/ N into a simple combinatorial problem of counting trees decorated by a finite number of loop edges. As an aside, we use the mixed expansion to show that the (divergent) perturbative expansion of the tensor models is Borel summable and to prove that the cumulants respect an uniform scaling bound. In particular the quartically perturbed measures fall, in the N→ ∞ limit, in the universality class of Gaussian tensor models.
Perturbation theory for isotropic velocity-dependent potentials: scattering case
NASA Astrophysics Data System (ADS)
Jaghoub, Mahmoud
2010-02-01
The time-independent Schr"odinger equation with an isotropic velocity-depen-dent potential is considered. Treating the velocity-dependent interaction as a small perturbation we develop analytical formulae for the changes in the scattering phase shifts and wave functions. It is shown that only the zeroth order solution and the perturbing potential are needed to determine the phase shift and wave function corrections. No prior knowledge of the unperturbed scattering states continuum is required. In order to test the validity of our approach we applied it to an exactly solvable model for nucleon-nucleon scattering. The results of the perturbation formalism compare quite well with the those of the exactly solvable model. The developed formalism can be applied in problems concerning pion-nucleon, nucleon-nucleon and electron-atom scattering. It may also be useful in studying the scattering of electrons in semiconductor heterostructures. )
NASA Astrophysics Data System (ADS)
Kataev, A. L.; Mikhailov, S. V.
2012-02-01
We propose a hypothesis on the detailed structure for the representation of the conformal symmetry breaking term in the basic Crewther relation generalized in the perturbation theory framework in QCD renormalized in the overline {MS} scheme. We establish the validity of this representation in the O(α{/s 4 }) approximation. Using the variant of the generalized Crewther relation formulated here allows finding relations between specific contributions to the QCD perturbation series coefficients for the flavor nonsinglet part of the Adler function D{/A ns } for the electron-positron annihilation in hadrons and to the perturbation series coefficients for the Bjorken sum rule S Bjp for the polarized deep-inelastic lepton-nucleon scattering. We find new relations between the α{/s 4 } coefficients of D{/A ns } and S Bjp . Satisfaction of one of them serves as an additional theoretical verification of the recent computer analytic calculations of the terms of order α{/s 4 } in the expressions for these two quantities.
More uses for Wilson loops: Perturbation theory without Feynman diagrams
Celmaster, W.; Kovacs, E.
1984-04-15
For many arbitrary lattices with arbitrary SU(N) actions, it is easy to estimate the perturbative value of ..lambda../sub latt//..lambda../sub MOM/ without calculating any Feynman diagrams. This observation, first made by Creutz, is based on the fact that perturbative expansions of Wilson loop ratios can be trivially extracted from Monte Carlo data at large ..beta... Here, we extend Creutz's results to general loop ratios including those of polygons and parallelograms encountered on nonstandard lattices. In particular, we analytically compute the lowest-order quantum corrections to these loop ratios, discuss which ratios are free from divergences, and give specific Monte Carlo examples.
NASA Astrophysics Data System (ADS)
Kutzelnigg, W.
1989-03-01
After a discussion of the problems associated with the non-relativistic limit of the Dirac equation and of the expansion of the exact eigenvalues and eigenfunctions of the H atom in powers of c -2 the traditional approaches for a perturbation theory of relativistic effects are critically reviewed. Then a direct perturbation theory is presented, that is characterized by a change of the metric in 4-component spinor space such that the Lévy-Leblond equation appears as the straightforward non-relativistic limit of the Dirac equation. The various orders in perturbation theory of the energy and the wave function are derived first in a direct way, then in a resolvent formalism. The formulas are very compact and easily generalizeable to arbitrary order. All integrals that arise to any order exist, and no controlled cancellation of divergent terms (as in other approaches) is necessary. In the same philosophy an iterative approach towards the solution of the Dirac equation is derived, in which the solution of the Schrödinger equation is the first iteration step.
Pasquini, B.; Drechsel, D.; Scherer, S.
2010-02-15
We show that the alleged discrepancies between chiral perturbation theory (ChPT) and dispersion theory, reported for the polarizability of the pion by Fil'kov and Kashevarov [Phys. Rev. C 72, 035211 (2005)], result from applying dispersion theory to nonanalytic functions.
Application of MACSYMA to first order perturbation theory in celestial mechanics
NASA Technical Reports Server (NTRS)
Anderson, J. D.; Lau, E. L.
1977-01-01
The application of MACSYMA to general first order perturbation theory in celestial mechanics is explored. Methods of derivation of small variations in the Keplerian orbital elements are developed. As an example of the methods, the small general relativistic perturbations on the two-body Newtonian motion, resulting from the rotation of the central body, are developed in detail.
Patel, Prakruti; Bhatt, Tanvi
2015-01-01
We aimed to examine the trial-to-trial changes in the reactive balance response to large magnitude slip-like treadmill perturbations in stance and whether the acquired adaptive changes could be appropriately scaled to a higher intensity perturbation. Seventeen young adults experienced 15 slips for training on level I intensity. Pre- and post-training slips were delivered at a higher intensity (20% > level I). Pre- and post-slip onset stability (at liftoff and touchdown of stepping limb) was measured as the shortest distance of the center of mass (COM) position (XCOM/BOS) and velocity (ẊCOM/BOS) relative to base of support (BOS) from a predicted threshold for backward loss of balance. The number of steps to recover balance, compensatory step length and peak trunk angle were recorded. The post-slip onset stability (at liftoff and touchdown) significantly increased across the trials with no change in preslip stability. Improvement in stability at touchdown positively correlated with an anterior shift in XCOM/BOS but not with ẊCOM/BOS. Consequently, the number of steps required to recover balance declined. The adaptive change in XCOM/BOS resulted from an increase in compensatory step length and reduced trunk extension. Individuals also improved post-slip onset stability on a higher intensity perturbation post-training compared with the pre-training trial. The results support that the CNS adapts to fixed intensity slip-like perturbations primarily by improving the reactive stability via modulation in compensatory step length and trunk extension. Furthermore, based on prior experience from the training phase, the acquired adaptive response can be successfully calibrated to a higher intensity perturbation. PMID:25649245
NASA Astrophysics Data System (ADS)
Matthews, Devin A.; Gong, Justin Z.; Stanton, John F.
2014-06-01
The derivation of analytic expressions for vibrational and rovibrational constants, for example the anharmonicity constants χij and the vibration-rotation interaction constants α^B_r, from second-order vibrational perturbation theory (VPT2) can be accomplished with pen and paper and some practice. However, the corresponding quantities from fourth-order perturbation theory (VPT4) are considerably more complex, with the only known derivations by hand extensively using many layers of complicated intermediates and for rotational quantities requiring specialization to orthorhombic cases or the form of Watson's reduced Hamiltonian. We present an automatic computer program for generating these expressions with full generality based on the adaptation of an existing numerical program based on the sum-over-states representation of the energy to a computer algebra context. The measures taken to produce well-simplified and factored expressions in an efficient manner are discussed, as well as the framework for automatically checking the correctness of the generated equations.
The Morse Oscillator and Second-Order Perturbation Theory
NASA Astrophysics Data System (ADS)
Pettitt, B. A.
1998-09-01
This article shows how the energies of the Morse oscillator are obtained exactly from a second-order perturbation expansion in a harmonic oscillator basis. This exercise is recommended for its instructional value in intermediate quantum chemistry, in that the second-order term is entirely tractable, it arises within an important context (anharmonicity of vibrations), and it gives the right answer.
Perturbation theory, effective field theory, and oscillations in the power spectrum
NASA Astrophysics Data System (ADS)
Vlah, Zvonimir; Seljak, Uroš; Yat Chu, Man; Feng, Yu
2016-03-01
We explore the relationship between the nonlinear matter power spectrum and the various Lagrangian and Standard Perturbation Theories (LPT and SPT). We first look at it in the context of one dimensional (1-d) dynamics, where 1LPT is exact at the perturbative level and one can exactly resum the SPT series into the 1LPT power spectrum. Shell crossings lead to non-perturbative effects, and the PT ignorance can be quantified in terms of their ratio, which is also the transfer function squared in the absence of stochasticity. At the order of PT we work, this parametrization is equivalent to the results of effective field theory (EFT), and can thus be expanded in terms of the same parameters. We find that its radius of convergence is larger than the SPT loop expansion. The same EFT parametrization applies to all SPT loop terms and if stochasticity can be ignored, to all N-point correlators. In 3-d, the LPT structure is considerably more complicated, and we find that LPT models with parametrization motivated by the EFT exhibit running with k and that SPT is generally a better choice. Since these transfer function expansions contain free parameters that change with cosmological model their usefulness for broadband power is unclear. For this reason we test the predictions of these models on baryonic acoustic oscillations (BAO) and other primordial oscillations, including string monodromy models, for which we ran a series of simulations with and without oscillations. Most models are successful in predicting oscillations beyond their corresponding PT versions, confirming the basic validity of the model. We show that if primordial oscillations are localized to a scale q, the wiggles in power spectrum are approximately suppressed as exp[-k2Σ2(q)/2], where Σ(q) is rms displacement of particles separated by q, which saturates on large scales, and decreases as q is reduced. No oscillatory features survive past k ~ 0.5h/Mpc at z = 0.
Perturbative quantum field theory in the framework of the fermionic projector
Finster, Felix
2014-04-15
We give a microscopic derivation of perturbative quantum field theory, taking causal fermion systems and the framework of the fermionic projector as the starting point. The resulting quantum field theory agrees with standard quantum field theory on the tree level and reproduces all bosonic loop diagrams. The fermion loops are described in a different formalism in which no ultraviolet divergences occur.
Renormalized perturbation theory - Vlasov-Poisson system, weak turbulence limit, and gyrokinetics
NASA Astrophysics Data System (ADS)
Zhang, Y. Z.; Mahadjan, S. M.
1988-10-01
The self-consistency of the renormalized perturbation theory of Zhang and Mahajan (1985) is demonstrated by applying it to the Vlasov-Poisson system and showing that the theory has the correct weak turbulence limit. Energy conservation is proved to arbitrary high order for the electrostatic drift waves. The theory is applied to derive renormalized equations for a low-beta gyrokinetic system. Comparison of this theory with other current theories is presented.
Golestanian, Ramin
2009-07-15
The general theory of electromagnetic-fluctuation-induced interactions in dielectric bodies as formulated by Dzyaloshinskii, Lifshitz, and Pitaevskii is rewritten as a perturbation theory in terms of the spatial contrast in (imaginary) frequency dependent dielectric function. The formulation can be used to calculate the Casimir-Lifshitz forces for dielectric objects of arbitrary geometry, as a perturbative expansion in the dielectric contrast, and could thus complement the existing theories that use perturbation in geometrical features. We find that expansion in dielectric contrast recasts the resulting Lifshitz energy into a sum of the different many-body contributions. The limit of validity and convergence properties of the perturbation theory is discussed using the example of parallel semi-infinite objects for which the exact result is known.
Reliability of the Optimized Perturbation Theory for scalar fields at finite temperature
Farias, R. L.; Teixeira, D. L. Jr.; Ramos, R. O.
2013-03-25
The thermodynamics of a massless scalar field with a quartic interaction is studied up to third order in the Optimized Perturbation Theory (OPT) method. A comparison with other nonperturbative approaches is performed such that the reliability of OPT is accessed.
On estimating perturbative coefficients in quantum field theory and statistical physics
Samuel, M.A. |
1994-05-01
The authors present a method for estimating perturbative coefficients in quantum field theory and Statistical Physics. They are able to obtain reliable error-bars for each estimate. The results, in all cases, are excellent.
Locomotor stability and adaptation during perturbed walking across the adult female lifespan.
McCrum, Christopher; Epro, Gaspar; Meijer, Kenneth; Zijlstra, Wiebren; Brüggemann, Gert-Peter; Karamanidis, Kiros
2016-05-01
The aim of this work was to examine locomotor stability and adaptation across the adult female lifespan during perturbed walking on the treadmill. 11 young, 11 middle and 14 older-aged female adults (mean and SD: 25.5(2.1), 50.6(6.4) and 69.0(4.7) years old respectively) walked on a treadmill. We applied a sustained perturbation to the swing phase of the right leg for 18 consecutive gait cycles, followed by a step with the resistance unexpectedly removed, via an ankle strap connected to a break-and-release system. The margin of stability (MoS) at foot touchdown was calculated as the difference between the anterior boundary of the base of support (BoS) and extrapolated center of mass. Older participants showed lower MoS adaptation magnitude in the early adaptation phase (steps 1-3) compared to the young and middle-aged groups. However, in the late adaptation phase (steps 16-18) there were no significant differences in adaptation magnitude between the three age groups. After removing the resistance, all three age groups showed similar aftereffects (i.e. increased BoS). The current results suggest that in old age, the ability to recalibrate locomotion to control stability is preserved, but the rate of adaptive improvement in locomotor stability is diminished. PMID:26970886
Perturbative N = 2 Supersymmetric Quantum Mechanics and L-Theory with Complex Coefficients
NASA Astrophysics Data System (ADS)
Berwick-Evans, Daniel
2016-01-01
We construct L-theory with complex coefficients from the geometry of 1|2-dimensional perturbative mechanics. Methods of perturbative quantization lead to wrong-way maps that we identify with those coming from the MSO orientation of L-theory tensored with the complex numbers. In particular, the total volume of a space of 1|2-dimensional vacua reads off the signature of a 4 k-dimensional oriented manifold.
Demographic evidence for adaptive theories of aging.
Mitteldorf, J J
2012-07-01
Pleiotropic theories for the evolutionary origins of senescence have been ascendant for forty years (see, for example, G. Williams (1957) Evolution, 11, 398-411; T. Kirkwood (1977) Nature, 270, 301-304), and it is not surprising that interpreters of demographic data seek to frame their results in this context. But some of that evidence finds a much more natural explanation in terms of adaptive aging. Here we re-interpret the 1997 results of the Centenarian Study in Boston, which found in their sample of centenarian women an excess of late childbearing. The finding was originally interpreted as a selection effect: a metabolic link between late menopause and longevity. But we demonstrate that this interpretation is statistically strained, and that the data in fact indicate a causal link: bearing a child late in life induces a metabolic response that promotes longevity. This conclusion directly contradicts some pleiotropic theories of aging that postulate a "cost of reproduction", and it supports theories of aging as an adaptive genetic program. PMID:22817535
The quantum probability equation: I. Bound state perturbation theory
NASA Astrophysics Data System (ADS)
Milward, Geoffrey C.; Wilkin, Colin
2000-10-01
The partial-wave Schrödinger equation with real boundary conditions is recast as an equation for the probability density. When a small additional potential is included, the changes in the bound-state energy eigenvalues are obtained, up to third order in the perturbation, purely in terms of the perturbing potential and the unperturbed probability density. Although the approach is different, our results are equivalent to those derived by Bender (Bender C M 1978 Advanced Mathematical Methods for Scientists and Engineers (New York: McGraw-Hill) p 330). Knowledge of neither the unperturbed energy spectrum nor the wavefunctions of excited states is required. Evaluations of the second-order energy shift are given for some soluble S-wave problems.
NASA Astrophysics Data System (ADS)
Cisterna, Adolfo; Cruz, Miguel; Delsate, Térence; Saavedra, Joel
2015-11-01
We derive the odd-parity perturbation equation for the nonminimal kinetic coupling sector of the general Horndeski theory, where the kinetic term is coupled to the metric and the Einstein tensor. We derive the potential of the perturbation, by identifying a master function and switching to tortoise coordinates. We then prove the mode stability under linear odd-parity perturbations of hairy black holes in this sector of Horndeski theory, when a cosmological constant term in the action is included. Finally, we comment on the existence of slowly rotating black hole solutions in this setup and discuss their implications on the physics of compact object configurations, such as neutron stars.
Two-point functions of quenched lattice QCD in Numerical Stochastic Perturbation Theory
Di Renzo, F.; Ilgenfritz, E.-M.; Perlt, H.; Schiller, A.; Torrero, C.
2011-05-23
We summarize the higher-loop perturbative computation of the ghost and gluon propagators in SU(3) Lattice Gauge Theory. Our final aim is to compare with results from lattice simulations in order to expose the genuinely non-perturbative content of the latter. By means of Numerical Stochastic Perturbation Theory we compute the ghost and gluon propagators in Landau gauge up to three and four loops. We present results in the infinite volume and a{yields}0 limits, based on a general fitting strategy.
Formation of model-free motor memories during motor adaptation depends on perturbation schedule
Lefèvre, Philippe
2015-01-01
Motor adaptation to an external perturbation relies on several mechanisms such as model-based, model-free, strategic, or repetition-dependent learning. Depending on the experimental conditions, each of these mechanisms has more or less weight in the final adaptation state. Here we focused on the conditions that lead to the formation of a model-free motor memory (Huang VS, Haith AM, Mazzoni P, Krakauer JW. Neuron 70: 787–801, 2011), i.e., a memory that does not depend on an internal model or on the size or direction of the errors experienced during the learning. The formation of such model-free motor memory was hypothesized to depend on the schedule of the perturbation (Orban de Xivry JJ, Ahmadi-Pajouh MA, Harran MD, Salimpour Y, Shadmehr R. J Neurophysiol 109: 124–136, 2013). Here we built on this observation by directly testing the nature of the motor memory after abrupt or gradual introduction of a visuomotor rotation, in an experimental paradigm where the presence of model-free motor memory can be identified (Huang VS, Haith AM, Mazzoni P, Krakauer JW. Neuron 70: 787–801, 2011). We found that relearning was faster after abrupt than gradual perturbation, which suggests that model-free learning is reduced during gradual adaptation to a visuomotor rotation. In addition, the presence of savings after abrupt introduction of the perturbation but gradual extinction of the motor memory suggests that unexpected errors are necessary to induce a model-free motor memory. Overall, these data support the hypothesis that different perturbation schedules do not lead to a more or less stabilized motor memory but to distinct motor memories with different attributes and neural representations. PMID:25673736
A novel adaptive controller for two-degree of freedom polar robot with unknown perturbations
NASA Astrophysics Data System (ADS)
Faieghi, Mohammad Reza; Delavari, Hadi; Baleanu, Dumitru
2012-02-01
In industrial applications, the performance of robot manipulators is always affected due to the presence of uncertainties and disturbances. This paper proposes a novel adaptive control scheme for robust control of robotic manipulators perturbed by unknown uncertainties and disturbances. First, an active sliding mode controller is designed and a sufficient condition is obtained guarantying reachability of the states to hit the sliding surface in finite time. Then, based on a Lyapunov function candidate an adaptive switching gain is derived which make the controller capable to bring the tracking error to zero without any disturbance exerted upon the stability. By virtue of this controller it can be shown that the controller can track the desired trajectories even in the presence of unknown perturbations. For the problem of determining the control parameters Particle Swarm Optimization (PSO) algorithm has been employed. Our theoretic achievements are verified by numerical simulations.
An Adaptation Level Theory of Tinnitus Audibility
Searchfield, Grant D.; Kobayashi, Kei; Sanders, Michael
2012-01-01
Models of tinnitus suggest roles for auditory, attention, and emotional networks in tinnitus perception. A model of tinnitus audibility based on Helson’s (1964) adaptation level theory (ALT) is hypothesized to explain the relationship between tinnitus audibility, personality, memory, and attention. This theory attempts to describe how tinnitus audibility or detectability might change with experience and context. The basis of ALT and potential role of auditory scene analysis in tinnitus perception are discussed. The proposed psychoacoustic model lends itself to incorporation into existing neurophysiological models of tinnitus perception. It is hoped that the ALT hypothesis will allow for greater empirical investigation of factors influencing tinnitus perception, such as attention and tinnitus sound therapies. PMID:22707935
New Approach for IIR Adaptive Lattice Filter Structure Using Simultaneous Perturbation Algorithm
NASA Astrophysics Data System (ADS)
Martinez, Jorge Ivan Medina; Nakano, Kazushi; Higuchi, Kohji
Adaptive infinite impulse response (IIR), or recursive, filters are less attractive mainly because of the stability and the difficulties associated with their adaptive algorithms. Therefore, in this paper the adaptive IIR lattice filters are studied in order to devise algorithms that preserve the stability of the corresponding direct-form schemes. We analyze the local properties of stationary points, a transformation achieving this goal is suggested, which gives algorithms that can be efficiently implemented. Application to the Steiglitz-McBride (SM) and Simple Hyperstable Adaptive Recursive Filter (SHARF) algorithms is presented. Also a modified version of Simultaneous Perturbation Stochastic Approximation (SPSA) is presented in order to get the coefficients in a lattice form more efficiently and with a lower computational cost and complexity. The results are compared with previous lattice versions of these algorithms. These previous lattice versions may fail to preserve the stability of stationary points.
Multi-Level Adaptive Techniques (MLAT) for singular-perturbation problems
NASA Technical Reports Server (NTRS)
Brandt, A.
1978-01-01
The multilevel (multigrid) adaptive technique, a general strategy of solving continuous problems by cycling between coarser and finer levels of discretization is described. It provides very fast general solvers, together with adaptive, nearly optimal discretization schemes. In the process, boundary layers are automatically either resolved or skipped, depending on a control function which expresses the computational goal. The global error decreases exponentially as a function of the overall computational work, in a uniform rate independent of the magnitude of the singular-perturbation terms. The key is high-order uniformly stable difference equations, and uniformly smoothing relaxation schemes.
Secular perturbation theory and computation of asteroid proper elements
NASA Technical Reports Server (NTRS)
Milani, Andrea; Knezevic, Zoran
1991-01-01
A new theory for the calculation of proper elements is presented. This theory defines an explicit algorithm applicable to any chosen set of orbits and accounts for the effect of shallow resonances on secular frequencies. The proper elements are computed with an iterative algorithm and the behavior of the iteration can be used to define a quality code.
Perturbative Quantum Gravity as a Double Copy of Gauge Theory and Implications for UV Properties
NASA Astrophysics Data System (ADS)
Bern, Zvi
2015-01-01
The talk will review recent developments showing that in a precise sense gravity scattering amplitudes are double copies of corresponding gauge theory ones used to describe the strong subnuclear interactions. Underlying this is a correspondence between the color charges and kinematic numerators appearing in gauge theory scattering amplitudes. An application of these ideas will be given, demonstrating that within perturbation theory standard supergravity theories are much tamer in the ultraviolet than had been believed possible.
Non-perturbative methods in relativistic field theory
Franz Gross
2013-03-01
This talk reviews relativistic methods used to compute bound and low energy scattering states in field theory, with emphasis on approaches that John Tjon and I discussed (and argued about) together. I compare the Bethe–Salpeter and Covariant Spectator equations, show some applications, and then report on some of the things we have learned from the beautiful Feynman–Schwinger technique for calculating the exact sum of all ladder and crossed ladder diagrams in field theory.
Integrable perturbations of conformal field theories and Yetter-Drinfeld modules
Bücher, David; Runkel, Ingo
2014-11-15
In this paper we relate a problem in representation theory — the study of Yetter-Drinfeld modules over certain braided Hopf algebras — to a problem in two-dimensional quantum field theory, namely, the identification of integrable perturbations of a conformal field theory. A prescription that parallels Lusztig's construction allows one to read off the quantum group governing the integrable symmetry. As an example, we illustrate how the quantum group for the loop algebra of sl(2) appears in the integrable structure of the perturbed uncompactified and compactified free boson.
NASA Astrophysics Data System (ADS)
Nakamura, K.
2007-01-01
Following the general framework of the gauge invariant perturbation theory developed in the papers [K. Nakamura, Prog. Theor. Phys. 110 (2003), 723; ibid. 113 (2005), 481], we formulate second-order gauge invariant cosmological perturbation theory in a four-dimensional homogeneous isotropic universe. We consider perturbations both in the universe dominated by a single perfect fluid and in that dominated by a single scalar field. We derive all the components of the Einstein equations in the case that the first-order vector and tensor modes are negligible. All equations are derived in terms of gauge invariant variables without any gauge fixing. These equations imply that second-order vector and tensor modes may be generated due to the mode-mode coupling of the linear-order scalar perturbations. We also briefly discuss the main progress of this work through comparison with previous works.
Temporal features of postural adaptation strategy to prolonged and repeatable balance perturbation.
Schmid, Micaela; Sozzi, Stefania
2016-08-15
Aim of this study was to get insight into the features of the postural adaptation process, occurring during a continuous 3-min and 0.6Hz horizontal sinusoidal oscillation of the body support base. We hypothesized an ongoing temporal organization of the balancing strategy that gradually becomes fine-tuned and more coordinated with the platform movement. The trial was divided into oscillation cycles and for each cycle: leg muscles activity and temporal relationship between Centre of Mass and Centre of Pressure A-P position were analyzed. The results of each cycle were grouped in time-windows of 10 successive cycles (time windows of 16.6s). Muscle activity was initially prominent and diminished progressively. The major burst of Tibialis Anterior (TA) muscle always occurred at the same time instant of the platform oscillation cycle, in advance with respect to the platform posterior turning point. This burst produced a body forward rotation that was delayed throughout the task. During prolonged and repeatable balance perturbation, an ongoing postural adaptation process occurs. When the effects of the perturbation become predictable, the CNS scales the level of muscle activity to counteracting the destabilizing effects of the perturbations. Furthermore, the CNS tunes the kinematics and the kinetic responses optimally by slightly delaying the onset of the body forward rotation, maintaining unchanged the time-pattern of postural muscle activation. PMID:27291456
Expansion of Perturbation Theory Applied to Shim Rotation Automation of the Advanced Test Reactor
NASA Astrophysics Data System (ADS)
Peterson, Joshua Loren
In 2007, the Department of Energy (DOE) declared the Advanced Test Reactor (ATR) a National Scientific User Facility (NSUF). This declaration expanded the focus of the ATR to include diversified classes of academic and industrial experiments. An essential part of the new suite of more accurate and flexible codes being deployed to support the NSUF is their ability to predict reactor behavior at startup, particularly the position of the outer shim control cylinders (OSCC). The current method used for calculating the OSCC positions during a cycle startup utilizes a heuristic trial and error approach that is impractical with the computationally intensive reactor physics tools, such as NEWT. It is therefore desirable that shim rotation prediction for startup be automated. Shim rotation prediction with perturbation theory was chosen to be investigated as one method for use with startup calculation automation. A modified form of first order perturbation theory, called phase space interpolated perturbation theory, was developed to more accurately model shim rotation prediction. Shim rotation prediction is just one application for this new modified form of perturbation theory. Phase space interpolated perturbation theory can be used on any application where the range of change to the system is known a priori, but the magnitude of change is not known. A cubic regression method was also developed to automate shim rotation prediction by using only forward solutions to the transport equation.
Use of the Halbach perturbation theory for the multipole design of the ALS storage ring sextupole
Marks, S.
1995-02-01
The Advanced Light Source (ALS) storage ring sextupole is a unique multi-purpose magnet. It is designed to operate in the primary or sextupole mode and in three auxiliary trim modes: horizontal steering, vertical steering, and skew quadrupole. Klaus Halbach developed a perturbation theory for iron-dominated magnets which provides the basis for this design. Many magnet designers, certainly those who have been exposed to Klaus, are familiar with this theory and have used it for such things as evaluating the effect of assembly alignment errors. The ALS sextupole design process was somewhat novel in its use of the perturbation theory to design essential features of the magnet. In particular, the steering and skew quadrupole functions are produced by violating sextupole symmetry and are thus perturbations of the normal sextupole excitation. The magnet was designed such that all four modes are decoupled and can be excited independently. This paper discusses the use of Halbach`s perturbation theory to design the trim functions and to evaluate the primary asymmetry in the sextupole mode, namely, a gap in the return yoke to accommodate the vacuum chamber. Prototype testing verified all operating modes of the magnet and confirmed the expected performance from calculations based upon the Halbach perturbation theory. A total of 48 sextupole magnets of this design are now installed and operating successfully in the ALS storage ring.
Diagrammatic perturbation theory applied to the ground state of the water molecule
NASA Technical Reports Server (NTRS)
Silver, D. M.; Wilson, S.
1977-01-01
The diagrammatic many-body perturbation theory is applied to the ground state of the water molecule within the algebraic approximation. Using four different basis sets, the total energy, the equilibrium OH bond length, and the equilibrium HOH bond angle are examined. The latter is found to be a particularly sensitive test of the convergence of perturbation expansions. Certain third-order results, which incorporate all two-, three-, and four-body effects, show evidence of good convergence properties.
Kohn-Sham density-functional theory and renormalization of many-body perturbation expansions
NASA Astrophysics Data System (ADS)
Valiev, Marat
1998-03-01
Numerous practical applications provide strong evidence that despite its simplicity and crude approximations, density-functional theory leads to a rather accurate description of ground state properties of various condensed matter systems. Although well documented numerically, to our knowledge a theoretical explanation of the accuracy of density-functional theory has not been given. This issue is clarified in this work by demonstrating that density-functional theory represents a particular renormalization procedure of a many-body perturbation expansion. In other words, it is shown that density-functional theory is a many-body perturbation theory whose convergence properties have been optimized. The realization of this fact brings new meaning into density-functional theory and explains the success of density-functional based calculations. For more information go to http://alchemy.ucsd.edu/marat/ .
NASA Astrophysics Data System (ADS)
Reina, Borja; Vera, Raül
2015-08-01
Hartle's model describes the equilibrium configuration of a rotating isolated compact body in perturbation theory up to second order in general relativity. The interior of the body is a perfect fluid with a barotropic equation of state, no convective motions and rigid rotation. That interior is matched across its surface to an asymptotically flat vacuum exterior. Perturbations are taken to second order around a static and spherically symmetric background configuration. Apart from the explicit assumptions, the perturbed configuration is constructed upon some implicit premises, in particular the continuity of the functions describing the perturbation in terms of some background radial coordinate. In this work we revisit the model within a modern general and consistent theory of perturbative matchings to second order, which is independent of the coordinates and gauges used to describe the two regions to be joined. We explore the matching conditions up to second order in full. The main particular result we present is that the radial function m0 (in the setting of the original work) of the second order perturbation tensor, contrary to the original assumption, presents a jump at the surface of the star, which is proportional to the value of the energy density of the background configuration there. As a consequence, the change in mass δ M needed by the perturbed configuration to keep the value of the central energy density unchanged must be amended. We also discuss some subtleties that arise when studying the deformation of the star.
NASA Astrophysics Data System (ADS)
Honkonen, Juha; Komarova, Marina V.; Nalimov, Mikhail Yu.
2014-03-01
Temperature Green functions are applied to the analysis of Bose-condensation of weakly interacting gas. The character of Goldstone singularities of correlation functions is established to all orders in perturbation theory. These singularities are regularized by the system volume. An anomalous volume dependence of the correlation functions is revealed. Quantum-field perturbation series are studied in the framework of the instanton approach. It is shown that there are no time-dependent instantons and that the time-independent instanton solutions exhibit factorial growth in large orders of the quantum-field perturbation expansion.
Optical tweezers theory near a flat surface: a perturbative method
NASA Astrophysics Data System (ADS)
Flyvbjerg, Henrik; Dutra, Rafael S.; Maia Neto, Paolo A.; Nussenzveig, H. Moyses
We propose a perturbative calculation of the optical force exercised by a focused laser beam on a microsphere of arbitrary radius that is localized near a flat glass surface in a standard optical tweezers setup. Starting from the Mie-Debye representation for the electric field of a Gaussian laser beam, focused by an objective of high numerical aperture, we derive a recursive series that represents the multiple reflections that describe the reverberation of laser light between the microsphere and the glass slide. We present numerical results for the axial component of the optical force and the axial trap stiffness. Numerical results for a configuration typical in biological applications--a microsphere of 0.5 µm radius at a distance around 0.25 µm from the surface--show a 37 [1] Viana N B, Rocha M S. Mesquita O N, et al. (2007) Towards absolute calibration of optical tweezers. Phys Rev E 75:021914-1-14. [2] Dutra R S, Viana N B, Maia Neto P A, et al. (2014) Absolute calibration of forces in optical tweezers. Phys Rev A 90:013825-1-13. Rafael S. Dutra thanks the Brazilian ``Science without Borders'' program for a postdoctoral scholarship.
Self-consistent perturbation theory for two dimensional twisted bilayers
NASA Astrophysics Data System (ADS)
Shirodkar, Sharmila N.; Tritsaris, Georgios A.; Kaxiras, Efthimios
Theoretical modeling and ab-initio simulations of two dimensional heterostructures with arbitrary angles of rotation between layers involve unrealistically large and expensive calculations. To overcome this shortcoming, we develop a methodology for weakly interacting heterostructures that treats the effect of one layer on the other as perturbation, and restricts the calculations to their primitive cells. Thus, avoiding computationally expensive supercells. We start by approximating the interaction potential between the twisted bilayers to that of a hypothetical configuration (viz. ideally stacked untwisted layers), which produces band structures in reasonable agreement with full-scale ab-initio calculations for commensurate and twisted bilayers of graphene (Gr) and Gr/hexagonal boron nitride (h-BN) heterostructures. We then self-consistently calculate the charge density and hence, interaction potential of the heterostructures. In this work, we test our model for bilayers of various combinations of Gr, h-BN and transition metal dichalcogenides, and discuss the advantages and shortcomings of the self-consistently calculated interaction potential. Department of Physics, Harvard University, Cambridge, Massachusetts 02138, USA.
On the Right Hamiltonian for Singular Perturbations:. General Theory
NASA Astrophysics Data System (ADS)
Neidhardt, Hagen; Zagrebnov, Valentin
Let the pair of self-adjoint operators {A≥0,W≤0} be such that: (a) there is a dense domain { D} subseteqdom (A)∩ dom(W) such that ˙ {H}=(A+W)|{ D} is semibounded from below (stability domain), (b) the symmetric operator ˙ {H} is not essentially self-adjoint (singularity of the perturbation), (c) the Friedrichs extension hat {A} of ˙ {A}=A|{ D} is maximal with respect to W, i.e., dom(√ {-W})∩ ker (˙ {A}*-{η }I)=\\{0\\}. η < 0. Let \\{Wn\\}∞ n=1 be a regularizing sequence of bounded operators which tends in the strong resolvent sense to W. The abstract problem of the right Hamiltonian is: (i) to give conditions such that the limit H of self-adjoint regularized Hamiltonians ˜ {H}n=˜ {A}+W_n exists and is unique for any self-adjoint extension ˜ {A} of ˙ {A}, (ii) to describe the limit H. We show that under the conditions (a)-(c) there is a regularizing sequence \\{Wn\\}∞ n=1 such that ˜ {H}n=˜ {A}+W_n tends in the strong resolvent sense to unique (right Hamiltonian) hat {H}=hat {A}.+W, otherwise the limit is not unique.
Determination of αs(Mτ2) from improved fixed order perturbation theory
NASA Astrophysics Data System (ADS)
Abbas, Gauhar; Ananthanarayan, B.; Caprini, Irinel
2012-05-01
We revisit the extraction of αs(Mτ2) from the QCD perturbative corrections to the hadronic τ branching ratio, using an improved fixed-order perturbation theory based on the explicit summation of all renormalization-group accessible logarithms, proposed some time ago in the literature. In this approach, the powers of the coupling in the expansion of the QCD Adler function are multiplied by a set of functions Dn, which depend themselves on the coupling and can be written in a closed form by iteratively solving a sequence of differential equations. We find that the new expansion has an improved behavior in the complex energy plane compared to that of the standard fixed-order perturbation theory (FOPT), and is similar but not identical to the contour-improved perturbation theory (CIPT). With five terms in the perturbative expansion we obtain in the MS¯ scheme αs(Mτ2)=0.338±0.010, using as input a precise value for the perturbative contribution to the hadronic width of the τ lepton reported recently in the literature.
Perturbation Theory for a Hydrogen-like Atom Confined Within an Impenetrable Spherical Cavity
NASA Astrophysics Data System (ADS)
Laughlin, Cecil
Perturbation expansions for a hydrogen-like atom confined at the centre of an impenetrable spherical cavity, of finite radius R, are discussed in a non-relativistic approximation. Properties considered include: energy, oscillator strength, dipole polarisability and nuclear shielding factor. The appropriate form of perturbation theory to employ depends on the cavity size and three different regimes are considered: small, intermediate and large. For large cavity radii, perturbation of the unconfined atom boundary condition at r=R to satisfy a Dirichlet condition results in exponentially small deviations from the unconfined atom values which are predicted to high accuracy in first order. For small R, Rayleigh-Schrödinger perturbation theory can be used, with the electron-nucleus Coulomb interaction treated as a perturbation, to generate expansions in powers of R. These expansions, whose radii of convergence are explored, provide highly accurate results even for moderately large R (depending on the state considered). The difficult intermediate range of R values is finally investigated using Rayleigh-Schrödinger perturbation theory based on known exact solutions obtained from lobes of free-atom solutions.
Ma, Cheng; Xu, Xiao; Liu, Yan; Wang, Lihong V.
2014-01-01
The ability to steer and focus light inside scattering media has long been sought for a multitude of applications. To form optical foci inside scattering media, the only feasible strategy at present is to guide photons by using either implanted1 or virtual2–4 guide stars, which can be inconvenient and limits potential applications. Here, we report a scheme for focusing light inside scattering media by employing intrinsic dynamics as guide stars. By time-reversing the perturbed component of the scattered light adaptively, we show that it is possible to focus light to the origin of the perturbation. Using the approach, we demonstrate non-invasive dynamic light focusing onto moving targets and imaging of a time-variant object obscured by highly scattering media. Anticipated applications include imaging and photoablation of angiogenic vessels in tumours as well as other biomedical uses. PMID:25530797
Perturbation theory analysis of competition in a heterogeneous population
NASA Astrophysics Data System (ADS)
Utzny, C.; Burroughs, N. J.
2003-01-01
A physiologically structured population model of T cell populations at the end of an immune response is proposed and analysed. The proposed model describes a T cell population with a structured death rate mediated by cytokine receptor surface expression. This provides a structuring that determines the ability of a T cell to compete for survival cytokines. Homogeneous differentiation into memory combined with heterogeneous survival abilities leads to a system of nonlinear first-order integro differential equations. The mathematical model is studied analytically by a perturbation approach which agrees well with numerical integrations. We find that the structured death rate leads to selection of T cells expressing high cytokine receptor levels. Selection in this model is independent of the initial T cell distribution which allows us to define a universal selection curve, a property lost under receptor downregulation (i.e. loss of cytokine receptors from the surface). Furthermore, we examine the effects of a population dependent memory differentiation rate and of cytokine receptor downregulation on selection. A population dependent memory differentiation rate increases selection significantly while putting an upper bound on the number of T cells differentiating into memory. Under receptor downregulation a dramatic change of the memory T cell distribution is induced. We find that there exists a critical ratio of the receptor downregulation rate to the average T cell death rate for which selection becomes maximal. Our analysis reveals that this maximum property is the result of an interplay between single cell dynamics and population dynamics. We propose that the selection studied in this paper plays an important role in the selection of optimal T cells for the memory pool.
NASA Astrophysics Data System (ADS)
Chai, Chenggang; Liu, Quan
2016-08-01
Tissue refractive index is one optical contrast mechanism with diagnostic potential, it is very important to investigate the effect of the refractive index mismatch on light propagation through diffusive regions. Here, we present a new analytical solution of perturbation theory for the refractive index mismatch between the small spherical inclusion and the surrounding tissues. The solution has been used to implement fitting procedures in order to obtain the optical properties of a heterogeneous sphere in semi-infinite medium from measurements of diffuse reflectance. Finally, perturbation theory has been validated by comparisons with the results of Monte Carlo simulation. The new perturbation theory would provide a basis for allowing early disease diagnosis and automatic screening.
Integrated perturbation theory and one-loop power spectra of biased tracers
NASA Astrophysics Data System (ADS)
Matsubara, Takahiko
2014-08-01
General and explicit predictions from the integrated perturbation theory (iPT) for power spectra and correlation functions of biased tracers are derived and presented in the one-loop approximation. The iPT is a general framework of the nonlinear perturbation theory of cosmological density fields in the presence of nonlocal bias, redshift-space distortions, and primordial non-Gaussianity. Analytic formulas of auto and cross power spectra of nonlocally biased tracers in both real and redshift spaces are derived and the results are comprehensively summarized. The main difference from previous formulas derived by the present author is to include the effects of generally nonlocal Lagrangian bias and primordial non-Gaussianity, and the derivation method of the new formula is fundamentally different from the previous one. Relations to recent work on improved methods of nonlinear perturbation theory in the literature are clarified and discussed.
Sahoo, Tapas; Pollak, Eli
2015-08-14
A second order classical perturbation theory is developed to calculate the sticking probability of a particle scattered from an uncorrugated thermal surface. An analytic expression for the temperature dependent energy loss of the particle to the surface is derived by employing a one-dimensional generalized Langevin equation. The surface temperature reduces the energy loss, since the thermal surface transfers energy to the particle. Using a Gaussian energy loss kernel and the multiple collision theory of Fan and Manson [J. Chem. Phys. 130, 064703 (2009)], enables the determination of the fraction of particles trapped on the surface after subsequent momentum reversals of the colliding particle. This then leads to an estimate of the trapping probability. The theory is tested for the model scattering of Ar on a LiF(100) surface. Comparison with numerical simulations shows excellent agreement of the analytical theory with simulations, provided that the energy loss is determined by the second order perturbation theory.
The application of the thermodynamic perturbation theory to study the hydrophobic hydration.
Mohoric, Tomaz; Urbic, Tomaz; Hribar-Lee, Barbara
2013-07-14
The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures. PMID:23862923
The application of the thermodynamic perturbation theory to study the hydrophobic hydration
NASA Astrophysics Data System (ADS)
Mohorič, Tomaž; Urbic, Tomaz; Hribar-Lee, Barbara
2013-07-01
The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures.
The application of the thermodynamic perturbation theory to study the hydrophobic hydration
Mohorič, Tomaž; Urbic, Tomaz; Hribar-Lee, Barbara
2013-01-01
The thermodynamic perturbation theory was tested against newly obtained Monte Carlo computer simulations to describe the major features of the hydrophobic effect in a simple 3D-Mercedes-Benz water model: the temperature and hydrophobe size dependence on entropy, enthalpy, and free energy of transfer of a simple hydrophobic solute into water. An excellent agreement was obtained between the theoretical and simulation results. Further, the thermodynamic perturbation theory qualitatively correctly (with respect to the experimental data) describes the solvation thermodynamics under conditions where the simulation results are difficult to obtain with good enough accuracy, e.g., at high pressures. PMID:23862923
Relativistic multireference many-body perturbation theory calculations on Au64+ - Au69+ ions
Vilkas, M J; Ishikawa, Y; Trabert, E
2006-03-31
Many-body perturbation theory (MBPT) calculations are an adequate tool for the description of the structure of highly charged multi-electron ions and for the analysis of their spectra. They demonstrate this by way of a re-investigation of n=3, {Delta}n=0 transitions in the EUV spectra of Na-, Mg-, Al-like, and Si-like ions of Au that have been obtained previously by heavy-ion accelerator based beam-foil spectroscopy. They discuss the evidence and propose several revisions on the basis of the multi-reference many-body perturbation theory calculations of Ne- through P-like ions of Au.
NASA Astrophysics Data System (ADS)
Martin, Alexandre; Torrent, Marc; Caracas, Razvan
2015-03-01
A formulation of the response of a system to strain and electric field perturbations in the pseudopotential-based density functional perturbation theory (DFPT) has been proposed by D.R Hamman and co-workers. It uses an elegant formalism based on the expression of DFT total energy in reduced coordinates, the key quantity being the metric tensor and its first and second derivatives. We propose to extend this formulation to the Projector Augmented-Wave approach (PAW). In this context, we express the full elastic tensor including the clamped-atom tensor, the atomic-relaxation contributions (internal stresses) and the response to electric field change (piezoelectric tensor and effective charges). With this we are able to compute the elastic tensor for all materials (metals and insulators) within a fully analytical formulation. The comparison with finite differences calculations on simple systems shows an excellent agreement. This formalism has been implemented in the plane-wave based DFT ABINIT code. We apply it to the computation of elastic properties and seismic-wave velocities of iron with impurity elements. By analogy with the materials contained in meteorites, tested impurities are light elements (H, O, C, S, Si).
Simple preconditioning for time-dependent density functional perturbation theory.
Lehtovaara, Lauri; Marques, Miguel A L
2011-07-01
By far, the most common use of time-dependent density functional theory is in the linear-reponse regime, where it provides information about electronic excitations. Ideally, the linear-response equations should be solved by a method that avoids the use of the unoccupied Kohn-Sham states--such as the Sternheimer method--as this reduces the complexity and increases the precision of the calculation. However, the Sternheimer equation becomes ill-conditioned near and indefinite above the first resonant frequency, seriously hindering the use of efficient iterative solution methods. To overcome this serious limitation, and to improve the general convergence properties of the iterative techniques, we propose a simple preconditioning strategy. In our method, the Sternheimer equation is solved directly as a linear equation using an iterative Krylov subspace method, i.e., no self-consistent cycle is required. Furthermore, the preconditioner uses the information of just a few unoccupied states and requires simple and minimal modifications to existing implementations. In this way, convergence can be reached faster and in a considerably wider frequency range than the traditional approach. PMID:21744884
Seifert, Michael D.; Wald, Robert M.
2007-04-15
We present a general method for the analysis of the stability of static, spherically symmetric solutions to spherically symmetric perturbations in an arbitrary diffeomorphism covariant Lagrangian field theory. Our method involves fixing the gauge and solving the linearized gravitational field equations to eliminate the metric perturbation variables in terms of the matter variables. In a wide class of cases--which include f(R) gravity, the Einstein-aether theory of Jacobson and Mattingly, and Bekenstein's TeVeS theory--the remaining perturbation equations for the matter fields are second order in time. We show how the symplectic current arising from the original Lagrangian gives rise to a symmetric bilinear form on the variables of the reduced theory. If this bilinear form is positive definite, it provides an inner product that puts the equations of motion of the reduced theory into a self-adjoint form. A variational principle can then be written down immediately, from which stability can be tested readily. We illustrate our method in the case of Einstein's equation with perfect fluid matter, thereby rederiving, in a systematic manner, Chandrasekhar's variational principle for radial oscillations of spherically symmetric stars. In a subsequent paper, we will apply our analysis to f(R) gravity, the Einstein-aether theory, and Bekenstein's TeVeS theory.