Numerical Solutions of One Reduced Bethe-Salpeter Equation for the Coulombic Bound States Composed of Virtual Constituents

NASA Astrophysics Data System (ADS)

Chen, Jiao-Kai

2018-04-01

We present one reduction of the Bethe-Salpeter equation for the bound states composed of two off-mass-shell constituents. Both the relativistic effects and the virtuality effects can be considered in the obtained spinless virtuality distribution equation. The eigenvalues of the spinless virtuality distribution equation are perturbatively calculated and the bound states e+e-, μ+μ-, τ+τ-, μ+e-, and τ+e- are discussed.

Goldstonic pseudoscalar mesons in Bethe-Salpeter-inspired setting

NASA Astrophysics Data System (ADS)

Lucha, Wolfgang; Schöberl, Franz F.

2018-03-01

For a two-particle bound-state equation closer to its Bethe-Salpeter origins than Salpeter’s equation, with effective interaction kernel deliberately forged such as to ensure, in the limit of zero mass of the bound-state constituents, the vanishing of the arising bound-state mass, we scrutinize the emerging features of the lightest pseudoscalar mesons for their agreement with the behavior predicted by a generalization of the Gell-Mann-Oakes-Renner relation.

Effect of ladder diagrams on optical absorption spectra in a quasiparticle self-consistent GW framework

NASA Astrophysics Data System (ADS)

Cunningham, Brian; Grüning, Myrta; Azarhoosh, Pooya; Pashov, Dimitar; van Schilfgaarde, Mark

2018-03-01

We present an approach to calculate the optical absorption spectra that combines the quasiparticle self-consistent GW method [Phys. Rev. B 76, 165106 (2007), 10.1103/PhysRevB.76.165106] for the electronic structure with the solution of the ladder approximation to the Bethe-Salpeter equation for the macroscopic dielectric function. The solution of the Bethe-Salpeter equation has been implemented within an all-electron framework, using a linear muffin-tin orbital basis set, with the contribution from the nonlocal self-energy to the transition dipole moments (in the optical limit) evaluated explicitly. This approach addresses those systems whose electronic structure is poorly described within the standard perturbative GW approaches with density-functional theory calculations as a starting point. The merits of this approach have been exemplified by calculating optical absorption spectra of a strongly correlated transition metal oxide, NiO, and a narrow gap semiconductor, Ge. In both cases, the calculated spectrum is in good agreement with the experiment. It is also shown that for systems whose electronic structure is well-described within the standard perturbative GW , such as Si, LiF, and h -BN , the performance of the present approach is in general comparable to the standard GW plus Bethe-Salpeter equation. It is argued that both vertex corrections to the electronic screening and the electron-phonon interaction are responsible for the observed systematic overestimation of the fundamental band gap and spectrum onset.

Symmetry preserving truncations of the gap and Bethe-Salpeter equations

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

Binosi, Daniele; Chang, Lei; Papavassiliou, Joannis

2016-05-01

Ward-Green-Takahashi (WGT) identities play a crucial role in hadron physics, e.g. imposing stringent relationships between the kernels of the one-and two-body problems, which must be preserved in any veracious treatment of mesons as bound states. In this connection, one may view the dressed gluon-quark vertex, Gamma(alpha)(mu), as fundamental. We use a novel representation of Gamma(alpha)(mu), in terms of the gluon-quark scattering matrix, to develop a method capable of elucidating the unique quark-antiquark Bethe-Salpeter kernel, K, that is symmetry consistent with a given quark gap equation. A strength of the scheme is its ability to expose and capitalize on graphic symmetriesmore » within the kernels. This is displayed in an analysis that reveals the origin of H-diagrams in K, which are two-particle-irreducible contributions, generated as two-loop diagrams involving the three-gluon vertex, that cannot be absorbed as a dressing of Gamma(alpha)(mu) in a Bethe-Salpeter kernel nor expressed as a member of the class of crossed-box diagrams. Thus, there are no general circumstances under which the WGT identities essential for a valid description of mesons can be preserved by a Bethe-Salpeter kernel obtained simply by dressing both gluon-quark vertices in a ladderlike truncation; and, moreover, adding any number of similarly dressed crossed-box diagrams cannot improve the situation.« less

Bethe-Salpeter Eigenvalue Solver Package (BSEPACK) v0.1

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

SHAO, MEIYEU; YANG, CHAO

2017-04-25

The BSEPACK contains a set of subroutines for solving the Bethe-Salpeter Eigenvalue (BSE) problem. This type of problem arises in this study of optical excitation of nanoscale materials. The BSE problem is a structured non-Hermitian eigenvalue problem. The BSEPACK software can be used to compute all or subset of eigenpairs of a BSE Hamiltonian. It can also be used to compute the optical absorption spectrum without computing BSE eigenvalues and eigenvectors explicitly. The package makes use of the ScaLAPACK, LAPACK and BLAS.

Bound H dibaryon in flavor SU(3) limit of lattice QCD.

PubMed

Inoue, Takashi; Ishii, Noriyoshi; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

2011-04-22

The flavor-singlet H dibaryon, which has strangeness -2 and baryon number 2, is studied by the approach recently developed for the baryon-baryon interactions in lattice QCD. The flavor-singlet central potential is derived from the spatial and imaginary-time dependence of the Nambu-Bethe-Salpeter wave function measured in N(f)=3 full QCD simulations with the lattice size of L≃2,3,4  fm. The potential is found to be insensitive to the volume, and it leads to a bound H dibaryon with the binding energy of 30-40 MeV for the pseudoscalar meson mass of 673-1015 MeV.

A Nakanishi-based model illustrating the covariant extension of the pion GPD overlap representation and its ambiguities

NASA Astrophysics Data System (ADS)

Chouika, N.; Mezrag, C.; Moutarde, H.; Rodríguez-Quintero, J.

2018-05-01

A systematic approach for the model building of Generalized Parton Distributions (GPDs), based on their overlap representation within the DGLAP kinematic region and a further covariant extension to the ERBL one, is applied to the valence-quark pion's case, using light-front wave functions inspired by the Nakanishi representation of the pion Bethe-Salpeter amplitudes (BSA). This simple but fruitful pion GPD model illustrates the general model building technique and, in addition, allows for the ambiguities related to the covariant extension, grounded on the Double Distribution (DD) representation, to be constrained by requiring a soft-pion theorem to be properly observed.

Coupled-channel approach to strangeness S = -2 baryon-bayron interactions in lattice QCD

NASA Astrophysics Data System (ADS)

Sasaki, Kenji; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko

2015-11-01

Baryon-baryon interactions with strangeness S=-2 with flavor SU(3) breaking are calculated for the first time by using the HAL QCD method extended to the coupled-channel system in lattice QCD. The potential matrices are extracted from the Nambu-Bethe-Salpeter wave functions obtained by the 2+1-flavor gauge configurations of the CP-PACS/JLQCD Collaborations with a physical volume of (1.93 fm)^3 and with m_{π }/m_K=0.96, 0.90, 0.86. The spatial structure and the quark mass dependence of the potential matrix in the baryon basis and in the SU(3) basis are investigated.

Light-front Ward-Takahashi identity for two-fermion systems

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

Marinho, J. A. O.; Frederico, T.; Pace, E.

We propose a three-dimensional electromagnetic current operator within light-front dynamics that satisfies a light-front Ward-Takahashi identity for two-fermion systems. The light-front current operator is obtained by a quasipotential reduction of the four-dimensional current operator and acts on the light-front valence component of bound or scattering states. A relation between the light-front valence wave function and the four-dimensional Bethe-Salpeter amplitude both for bound or scattering states is also derived, such that the matrix elements of the four-dimensional current operator can be fully recovered from the corresponding light-front ones. The light-front current operator can be perturbatively calculated through a quasipotential expansion, andmore » the divergence of the proposed current satisfies a Ward-Takahashi identity at any given order of the expansion. In the quasipotential expansion the instantaneous terms of the fermion propagator are accounted for by the effective interaction and two-body currents. We exemplify our theoretical construction in the Yukawa model in the ladder approximation, investigating in detail the current operator at the lowest nontrivial order of the quasipotential expansion of the Bethe-Salpeter equation. The explicit realization of the light-front form of the Ward-Takahashi identity is verified. We also show the relevance of instantaneous terms and of the pair contribution to the two-body current and the Ward-Takahashi identity.« less

Lattice QCD studies of s-wave meson-baryon interactions

NASA Astrophysics Data System (ADS)

Ikeda, Yoichi

2011-10-01

We study the s-wave KN interactions in the isospin I = 0, 1 channels and associated exotic state Θ+ from 2+1 flavor full lattice QCD simulation for relatively heavy quark mass corresponding to mπ = 871 MeV. The s-wave KN potentials are obtained from the Bethe-Salpeter amplitudes. Potentials in both channels reveal short range repulsions: Strength of the repulsion is stronger in the I = 1 potential. The I = 0 potential is found to have attractive well at mid range. The KN scattering phase shifts are calculated and compared with the experimental data.

Kaon-Nucleon potential from lattice QCD

NASA Astrophysics Data System (ADS)

Ikeda, Y.; Aoki, S.; Doi, T.; Hatsuda, T.; Inoue, T.; Ishii, N.; Murano, K.; Nemura, H.; Sasaki, K.

2010-04-01

We study the K N interactions in the I(Jπ) = 0(1/2-) and 1(1/2-) channels and associated exotic state Θ+ from 2+1 flavor full lattice QCD simulation for relatively heavy quark mass corresponding to mπ = 871 MeV. The s-wave K N potentials are obtained from the Bethe-Salpeter wave function by using the method recently developed by HAL QCD (Hadrons to Atomic nuclei from Lattice QCD) Collaboration. Potentials in both channels reveal short range repulsions: Strength of the repulsion is stronger in the I = 1 potential, which is consistent with the prediction of the Tomozawa-Weinberg term. The I = 0 potential is found to have attractive well at mid range. From these potentials, the K N scattering phase shifts are calculated and compared with the experimental data.

On the Relativistic Separable Functions for the Breakup Reactions

NASA Astrophysics Data System (ADS)

Bondarenko, Serge G.; Burov, Valery V.; Rogochaya, Elena P.

2018-02-01

In the paper the so-called modified Yamaguchi function for the Bethe-Salpeter equation with a separable kernel is discussed. The type of the functions is defined by the analytic stucture of the hadron current with breakup - the reactions with interacting nucleon-nucleon pair in the final state (electro-, photo-, and nucleon-disintegration of the deuteron).

Optical properties of body-centered tetragonal C4: Insights from many-body perturbation and time-dependent density functional theories

NASA Astrophysics Data System (ADS)

Tarighi Ahmadpour, Mahdi; Rostamnejadi, Ali; Hashemifar, S. Javad

2018-04-01

We study the electronic structure and optical properties of a body-centered tetragonal phase of carbon (bct-C4) within the framework of time-dependent density functional theory and Bethe-Salpeter equation. The results indicate that the optical properties of bct-C4 are strongly affected by the electron-hole interaction. It is demonstrated that the long-range corrected exchange-correlation kernels could fairly reproduce the Bethe-Salpeter equation results. The effective carrier number reveals that at energies above 30 eV, the excitonic effects are not dominant any more and that the optical transitions originate mainly from electronic excitations. The emerged peaks in the calculated electron energy loss spectra are discussed in terms of plasmon excitations and interband transitions. The results of the research indicate that bct-C4 is an indirect wide-band-gap semiconductor, which is transparent in the visible region and opaque in the ultraviolet spectral range.

Pion and kaon valence-quark parton quasidistributions

NASA Astrophysics Data System (ADS)

Xu, Shu-Sheng; Chang, Lei; Roberts, Craig D.; Zong, Hong-Shi

2018-05-01

Algebraic Ansätze for the Poincaré-covariant Bethe-Salpeter wave functions of the pion and kaon are used to calculate their light-front wave functions, parton distribution amplitudes, parton quasidistribution amplitudes, valence parton distribution functions, and parton quasidistribution functions (PqDFs). The light-front wave functions are broad, concave functions, and the scale of flavor-symmetry violation in the kaon is roughly 15%, being set by the ratio of emergent masses in the s - and u -quark sectors. Parton quasidistribution amplitudes computed with longitudinal momentum Pz=1.75 GeV provide a semiquantitatively accurate representation of the objective parton distribution amplitude, but even with Pz=3 GeV , they cannot provide information about this amplitude's end point behavior. On the valence-quark domain, similar outcomes characterize PqDFs. In this connection, however, the ratio of kaon-to-pion u -quark PqDFs is found to provide a good approximation to the true parton distribution function ratio on 0.4 ≲x ≲0.8 , suggesting that with existing resources computations of ratios of parton quasidistributions can yield results that support empirical comparison.

Annihilation rates of 3D2(2--) and 3D3(3--) heavy quarkonia

NASA Astrophysics Data System (ADS)

Wang, Tianhong; Fu, Hui-Feng; Jiang, Yue; Li, Qiang; Wang, Guo-Li

2017-03-01

We calculate the annihilation decay rates of the 3D 2(2--) and 3D 3(3--) charmonia and bottomonia by using the instantaneous Bethe-Salpeter (BS) method. The wave functions of states with quantum numbers JPC = 2-- and 3-- are constructed. By solving the corresponding instantaneous BS equations, we obtain the mass spectra and wave functions of the quarkonia. The annihilation amplitude is written within Mandelstam formalism and the relativistic corrections are taken into account properly. This is important, especially for high excited states, since their relativistic corrections are large. The results for the 3g channel are as follows: Γ13D2(cc¯)→ggg = 9.24 keV, Γ13D3(cc¯)→ggg = 25.0 keV, Γ13D2(bb¯)→ggg = 1.87 keV and Γ13D3(bb¯)→ggg = 0.815 keV.

A structure preserving Lanczos algorithm for computing the optical absorption spectrum

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

Shao, Meiyue; Jornada, Felipe H. da; Lin, Lin

2016-11-16

We present a new structure preserving Lanczos algorithm for approximating the optical absorption spectrum in the context of solving full Bethe-Salpeter equation without Tamm-Dancoff approximation. The new algorithm is based on a structure preserving Lanczos procedure, which exploits the special block structure of Bethe-Salpeter Hamiltonian matrices. A recently developed technique of generalized averaged Gauss quadrature is incorporated to accelerate the convergence. We also establish the connection between our structure preserving Lanczos procedure with several existing Lanczos procedures developed in different contexts. Numerical examples are presented to demonstrate the effectiveness of our Lanczos algorithm.

Chiral dynamics of the p wave in K-p and coupled states

NASA Astrophysics Data System (ADS)

Jido, D.; Oset, E.; Ramos, A.

2002-11-01

We perform an evaluation of the p-wave amplitudes of meson-baryon scattering in the strangeness S=-1 sector starting from the lowest order chiral Lagrangians and introducing explicitly the Σ* field with couplings to the meson-baryon states obtained using SU(6) symmetry. The N/D method of unitarization is used, equivalent, in practice, to the use of the Bethe-Salpeter equation with a cutoff. The procedure leaves no freedom for the p-waves once the s-waves are fixed and thus one obtains genuine predictions for the p-wave scattering amplitudes, which are in good agreement with experimental results for differential cross sections, as well as for the width and partial decay widths of the Σ*(1385).

Spin dynamics of qqq wave function on light front in high momentum limit of QCD: Role of qqq force

NASA Astrophysics Data System (ADS)

Mitra, A. N.

2008-04-01

The contribution of a spin-rich qqq force (in conjunction with pairwise qq forces) to the analytical structure of the qqq wave function is worked out in the high momentum regime of QCD where the confining interaction may be ignored, so that the dominant effect is Coulombic. A distinctive feature of this study is that the spin-rich qqq force is generated by a ggg vertex (a genuine part of the QCD Lagrangian) wherein the 3 radiating gluon lines end on as many quark lines, giving rise to a (Mercedes-Benz type) Y-shaped diagram. The dynamics is that of a Salpeter-like equation (3D support for the kernel) formulated covariantly on the light front, a la Markov-Yukawa Transversality Principle (MYTP) which warrants a 2-way interconnection between the 3D and 4D Bethe-Salpeter (BSE) forms for 2 as well as 3 fermion quarks. With these ingredients, the differential equation for the 3D wave function ϕ receives well-defined contributions from the qq and qqq forces. In particular a negative eigenvalue of the spin operator iσ1 · σ2 × σ3 which is an integral part of the qqq force, causes a characteristic singularity in the differential equation, signalling the dynamical effect of a spin-rich qqq force not yet considered in the literature. The potentially crucial role of this interesting effect vis-a-vis the so-called 'spin anomaly' of the proton, is a subject of considerable physical interest.

Extension of the HAL QCD approach to inelastic and multi-particle scatterings in lattice QCD

NASA Astrophysics Data System (ADS)

Aoki, S.

We extend the HAL QCD approach, with which potentials between two hadrons can be obtained in QCD at energy below inelastic thresholds, to inelastic and multi-particle scatterings. We first derive asymptotic behaviors of the Nambu-Bethe-Salpeter (NBS) wave function at large space separations for systems with more than 2 particles, in terms of the one-shell $T$-matrix consrainted by the unitarity of quantum field theories. We show that its asymptotic behavior contains phase shifts and mixing angles of $n$ particle scatterings. This property is one of the essential ingredients of the HAL QCD scheme to define "potential" from the NBS wave function in quantum field theories such as QCD. We next construct energy independent but non-local potentials above inelastic thresholds, in terms of these NBS wave functions. We demonstrate an existence of energy-independent coupled channel potentials with a non-relativistic approximation, where momenta of all particles are small compared with their own masses. Combining these two results, we can employ the HAL QCD approach also to investigate inelastic and multi-particle scatterings.

G W (Γ ) method without the Bethe-Salpeter equation for photoabsorption energies of spin-polarized systems

NASA Astrophysics Data System (ADS)

Isobe, Tomoharu; Kuwahara, Riichi; Ohno, Kaoru

2018-06-01

The one-shot G W method, beginning with the local density approximation (LDA), enables one to calculate photoemission and inverse photoemission spectra. In order to calculate photoabsorption spectra, one had to additionally solve the Bethe-Salpeter equation (BSE) for the two-particle (electron-hole) Green's function, which doubly induces evaluation errors. It has been recently reported that the G W +BSE method significantly underestimates the experimental photoabsorption energies (PAEs) of small molecules. In order to avoid these problems, we propose to apply the G W (Γ ) method not to the neutral ground state but to the cationic state to calculate PAEs without solving the BSE, which allows a rigorous one-to-one correspondence between the photoabsorption peak and the "extended" quasiparticle level. We applied the self-consistent linearized G W Γ method including the vertex correction Γ to our method, and found that this method gives the PAEs of B, Na3, and Li3 to within 0.1 eV accuracy.

Macroscopic and microscopic components of exchange-correlation interactions

NASA Astrophysics Data System (ADS)

Sottile, F.; Karlsson, K.; Reining, L.; Aryasetiawan, F.

2003-11-01

We consider two commonly used approaches for the ab initio calculation of optical-absorption spectra, namely, many-body perturbation theory based on Green’s functions and time-dependent density-functional theory (TDDFT). The former leads to the two-particle Bethe-Salpeter equation that contains a screened electron-hole interaction. We approximate this interaction in various ways, and discuss in particular the results obtained for a local contact potential. This, in fact, allows us to straightforwardly make the link to the TDDFT approach, and to discuss the exchange-correlation kernel fxc that corresponds to the contact exciton. Our main results, illustrated in the examples of bulk silicon, GaAs, argon, and LiF, are the following. (i) The simple contact exciton model, used on top of an ab initio calculated band structure, yields reasonable absorption spectra. (ii) Qualitatively extremely different fxc can be derived approximatively from the same Bethe-Salpeter equation. These kernels can however yield very similar spectra. (iii) A static fxc, both with or without a long-range component, can create transitions in the quasiparticle gap. To the best of our knowledge, this is the first time that TDDFT has been shown to be able to reproduce bound excitons.

Baryon interactions from lattice QCD with physical masses —S = -3 sector: Ξ∑ and Ξ∑-Λ∑—

NASA Astrophysics Data System (ADS)

Ishii, Noriyoshi; Aoki, Sinya; Doi, Takumi; Gongyo, Shinya; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Miyamoto, Takaya; Nemura, Hidekatsu; Sasaki, Kenji

2018-03-01

Hyperon-nucleon and hyperon-hyperon interactions are important in studying the properties of hypernuclei in hypernuclear physics. However, unlike the nucleons which are quite stable, hyperons are unstable so that the direct scattering experiments are difficult, which leads to the large uncertainty in the phenomenological determination of hyperon potentials. In this talk, we use the gauge configurations generated at the (almost) physical point (mπ = 146 MeV) on a huge spatial volume (8:1fm)4 to present our latest result on the hyperon-hyperon potentials in S = -3 sector (Ξ∑ single channel and Ξ∑- ΞΛ; coupled channel) from the Nambu-Bethe-Salpeter wave functions based on the HAL QCD method with improved statistics.

A systematic benchmark of the ab initio Bethe-Salpeter equation approach for low-lying optical excitations of small organic molecules

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

Bruneval, Fabien; Molecular Foundry, Lawrence Berkeley National Laboratory, Berkeley, California 94720; Department of Physics, University of California, Berkeley, California 94720

2015-06-28

The predictive power of the ab initio Bethe-Salpeter equation (BSE) approach, rigorously based on many-body Green’s function theory but incorporating information from density functional theory, has already been demonstrated for the optical gaps and spectra of solid-state systems. Interest in photoactive hybrid organic/inorganic systems has recently increased and so has the use of the BSE for computing neutral excitations of organic molecules. However, no systematic benchmarks of the BSE for neutral electronic excitations of organic molecules exist. Here, we study the performance of the BSE for the 28 small molecules in Thiel’s widely used time-dependent density functional theory benchmark setmore » [Schreiber et al., J. Chem. Phys. 128, 134110 (2008)]. We observe that the BSE produces results that depend critically on the mean-field starting point employed in the perturbative approach. We find that this starting point dependence is mainly introduced through the quasiparticle energies obtained at the intermediate GW step and that with a judicious choice of starting mean-field, singlet excitation energies obtained from BSE are in excellent quantitative agreement with higher-level wavefunction methods. The quality of the triplet excitations is slightly less satisfactory.« less

Impact of nearest-neighbor repulsion on superconducting pairing in 2D extended Hubbard model

NASA Astrophysics Data System (ADS)

Jiang, Mi; Hahner, U. R.; Maier, T. A.; Schulthess, T. C.

Using dynamical cluster approximation (DCA) with an continuous-time QMC solver for the two-dimensional extended Hubbard model, we studied the impact of nearest-neighbor Coulomb repulsion V on d-wave superconducting pairing dynamics. By solving Bethe-Salpeter equation for particle-particle superconducting channel, we focused on the evolution of leading d-wave eigenvalue with V and the momentum and frequency dependence of the corresponding eigenfunction. The comparison with the evolution of both spin and charge susceptibilities versus V is presented showing the competition between spin and charge fluctuations. This research received generous support from the MARVEL NCCR and used resources of the Swiss National Supercomputing Center, as well as (INCITE) program in Oak Ridge Leadership Computing Facility.

Benchmark of Ab Initio Bethe-Salpeter Equation Approach with Numeric Atom-Centered Orbitals

NASA Astrophysics Data System (ADS)

Liu, Chi; Kloppenburg, Jan; Kanai, Yosuke; Blum, Volker

The Bethe-Salpeter equation (BSE) approach based on the GW approximation has been shown to be successful for optical spectra prediction of solids and recently also for small molecules. We here present an all-electron implementation of the BSE using numeric atom-centered orbital (NAO) basis sets. In this work, we present benchmark of BSE implemented in FHI-aims for low-lying excitation energies for a set of small organic molecules, the well-known Thiel's set. The difference between our implementation (using an analytic continuation of the GW self-energy on the real axis) and the results generated by a fully frequency dependent GW treatment on the real axis is on the order of 0.07 eV for the benchmark molecular set. We study the convergence behavior to the complete basis set limit for excitation spectra, using a group of valence correlation consistent NAO basis sets (NAO-VCC-nZ), as well as for standard NAO basis sets for ground state DFT with extended augmentation functions (NAO+aug). The BSE results and convergence behavior are compared to linear-response time-dependent DFT, where excellent numerical convergence is shown for NAO+aug basis sets.

Symmetry-preserving contact interaction model for heavy-light mesons

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

Serna, F. E.; Brito, M. A.; Krein, G.

2016-01-22

We use a symmetry-preserving regularization method of ultraviolet divergences in a vector-vector contact interaction model for low-energy QCD. The contact interaction is a representation of nonperturbative kernels used Dyson-Schwinger and Bethe-Salpeter equations. The regularization method is based on a subtraction scheme that avoids standard steps in the evaluation of divergent integrals that invariably lead to symmetry violation. Aiming at the study of heavy-light mesons, we have implemented the method to the pseudoscalar π and K mesons. We have solved the Dyson-Schwinger equation for the u, d and s quark propagators, and obtained the bound-state Bethe-Salpeter amplitudes in a way thatmore » the Ward-Green-Takahashi identities reflecting global symmetries of the model are satisfied for arbitrary routing of the momenta running in loop integrals.« less

Omega-Omega interaction from 2+1-flavor lattice quantum chromodynamics

NASA Astrophysics Data System (ADS)

Yamada, Masanori; Sasaki, Kenji; Aoki, Sinya; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Ishii, Noriyoshi; Murano, Keiko; Nemura, Hidekatsu

2015-07-01

We investigate the interaction between Ω baryons in the {^{1}S}_0 channel from 2{+ }1-flavor lattice quantum chromodynamics (QCD) simulations. On the basis of the HAL QCD method, the Ω Ω potential is extracted from the Nambu-Bethe-Salpeter wave function calculated on the lattice by using the PACS-CS gauge configurations with a lattice spacing of a˜eq 0.09fm, a lattice volume of L˜eq 2.9fm, and quark masses corresponding to m_π ˜eq 700MeV and m_Ω ˜eq 1970MeV. The Ω Ω potential has a repulsive core at short distances and an attractive well at intermediate distances. Accordingly, the phase shift obtained from the potential shows moderate attraction at low energies. Our data indicate that the Ω Ω system with the present quark masses may appear close to the unitary limit where the scattering length diverges.

Real-structure effects: Band gaps of Mg_xZn_{1-x}O, Cd_xZn_{1-x}O, and n-type ZnO from ab-initio calculations

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

Schleife, A; Bechstedt, F

2012-02-15

Many-body perturbation theory is applied to compute the quasiparticle electronic structures and the optical-absorption spectra (including excitonic effects) for several transparent conducting oxides. We discuss HSE+G{sub 0}W{sub 0} results for band structures, fundamental band gaps, and effective electron masses of MgO, ZnO, CdO, SnO{sub 2}, SnO, In{sub 2}O{sub 3}, and SiO{sub 2}. The Bethe-Salpeter equation is solved to account for excitonic effects in the calculation of the frequency-dependent absorption coefficients. We show that the HSE+G{sub 0}W{sub 0} approach and the solution of the Bethe-Salpeter equation are very well-suited to describe the electronic structure and the optical properties of various transparentmore » conducting oxides in good agreement with experiment.« less

Strong Coupling Continuum QCD

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

Pennington, M. R.

2011-05-23

The Schwinger-Dyson, Bethe-Salpeter system of equations are the link between coloured quarks and gluons, and colourless hadrons and their properties. This talk reviews some aspects of these studies from the infrared behaviour of ghosts to the prediction of electromagnetic form-factors.

Strong Coupling Continuum QCD

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

Michael Pennington

2011-05-01

The Schwinger-Dyson, Bethe-Salpeter system of equations are the link between coloured quarks and gluons, and colourless hadrons and their properties. This talk reviews some aspects of these studies from the infrared behaviour of ghosts to the prediction of electromagnetic form-factors.

Simple many-body based screening mixing ansatz for improvement of G W /Bethe-Salpeter equation excitation energies of molecular systems

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2017-11-01

We propose a simple many-body based screening mixing strategy to considerably enhance the performance of the Bethe-Salpeter equation (BSE) approach for prediction of excitation energies of molecular systems. This strategy enables us to closely reproduce results of highly correlated equation of motion coupled cluster singles and doubles (EOM-CCSD) through optimal use of cancellation effects. We start from the Hartree-Fock (HF) reference state and take advantage of local density approximation (LDA) based random phase approximation (RPA) screening, denoted as W0-RPA@LDA with W0 as the dynamically screened interaction built upon LDA wave functions and energies. We further use this W0-RPA@LDA screening as an initial screening guess for calculation of quasiparticle energies in the framework of G0W0 @HF. The W0-RPA@LDA screening is further injected into the BSE. By applying such an approach on a set of 22 molecules for which the traditional G W /BSE approaches fail, we observe good agreement with respect to EOM-CCSD references. The reason for the observed good accuracy of this mixing ansatz (scheme A) lies in an optimal damping of HF exchange effect through the W0-RPA@LDA strong screening, leading to substantial decrease of typically overestimated HF electronic gap, and hence to better excitation energies. Further, we present a second multiscreening ansatz (scheme B), which is similar to scheme A with the exception that now the W0-RPA@HF screening is used in the BSE in order to further improve the overestimated excitation energies of carbonyl sulfide (COS) and disilane (Si2H6 ). The reason for improvement of the excitation energies in scheme B lies in the fact that W0-RPA@HF screening is less effective (and weaker than W0-RPA@LDA), which gives rise to stronger electron-hole effects in the BSE.

Fast iterative solution of the Bethe-Salpeter eigenvalue problem using low-rank and QTT tensor approximation

NASA Astrophysics Data System (ADS)

Benner, Peter; Dolgov, Sergey; Khoromskaia, Venera; Khoromskij, Boris N.

2017-04-01

In this paper, we propose and study two approaches to approximate the solution of the Bethe-Salpeter equation (BSE) by using structured iterative eigenvalue solvers. Both approaches are based on the reduced basis method and low-rank factorizations of the generating matrices. We also propose to represent the static screen interaction part in the BSE matrix by a small active sub-block, with a size balancing the storage for rank-structured representations of other matrix blocks. We demonstrate by various numerical tests that the combination of the diagonal plus low-rank plus reduced-block approximation exhibits higher precision with low numerical cost, providing as well a distinct two-sided error estimate for the smallest eigenvalues of the Bethe-Salpeter operator. The complexity is reduced to O (Nb2) in the size of the atomic orbitals basis set, Nb, instead of the practically intractable O (Nb6) scaling for the direct diagonalization. In the second approach, we apply the quantized-TT (QTT) tensor representation to both, the long eigenvectors and the column vectors in the rank-structured BSE matrix blocks, and combine this with the ALS-type iteration in block QTT format. The QTT-rank of the matrix entities possesses almost the same magnitude as the number of occupied orbitals in the molecular systems, No

The {{\\rm{D}}\\bar{{\\rm{D}}}}^{{\\rm{* }}} interaction with isospin zero in an extended hidden gauge symmetry approach

NASA Astrophysics Data System (ADS)

Sun, Bao-Xi; Wan, Da-Ming; Zhao, Si-Yu

2018-05-01

The {{{D}}\\bar{{{D}}}}{{* }} interaction via a ρ or ω exchange is constructed within an extended hidden gauge symmetry approach, where the strange quark is replaced by the charm quark in the SU(3) flavor space. With this {{{D}}\\bar{{{D}}}}{{* }} interaction, a bound state slightly lower than the {{{D}}\\bar{{{D}}}}{{* }} threshold is generated dynamically in the isospin zero sector by solving the Bethe-Salpeter equation in the coupled-channel approximation, which might correspond to the X(3872) particle announced by many collaborations. This formulism is also used to study the {{{B}}\\bar{{{B}}}}{{* }} interaction, and a {{{B}}\\bar{{{B}}}}{{* }} bound state with isospin zero is generated dynamically, which has no counterpart listed in the review of the Particle Data Group. Furthermore, the one-pion exchange between the D meson and the {\\bar{{{D}}}}{{* }} is analyzed precisely, and we do not think the one-pion exchange potential need be considered when the Bethe-Salpeter equation is solved.

Diffusion approximation with polarization and resonance effects for the modelling of seismic waves in strongly scattering small-scale media

NASA Astrophysics Data System (ADS)

Margerin, Ludovic

2013-01-01

This paper presents an analytical study of the multiple scattering of seismic waves by a collection of randomly distributed point scatterers. The theory assumes that the energy envelopes are smooth, but does not require perturbations to be small, thereby allowing the modelling of strong, resonant scattering. The correlation tensor of seismic coda waves recorded at a three-component sensor is decomposed into a sum of eigenmodes of the elastodynamic multiple scattering (Bethe-Salpeter) equation. For a general moment tensor excitation, a total number of four modes is necessary to describe the transport of seismic waves polarization. Their spatio-temporal dependence is given in closed analytical form. Two additional modes transporting exclusively shear polarizations may be excited by antisymmetric moment tensor sources only. The general solution converges towards an equipartition mixture of diffusing P and S waves which allows the retrieval of the local Green's function from coda waves. The equipartition time is obtained analytically and the impact of absorption on Green's function reconstruction is discussed. The process of depolarization of multiply scattered waves and the resulting loss of information is illustrated for various seismic sources. It is shown that coda waves may be used to characterize the source mechanism up to lapse times of the order of a few mean free times only. In the case of resonant scatterers, a formula for the diffusivity of seismic waves incorporating the effect of energy entrapment inside the scatterers is obtained. Application of the theory to high-contrast media demonstrates that coda waves are more sensitive to slow rather than fast velocity anomalies by several orders of magnitude. Resonant scattering appears as an attractive physical phenomenon to explain the small values of the diffusion constant of seismic waves reported in volcanic areas.

Solution of two-body relativistic bound state equations with confining plus Coulomb interactions

NASA Technical Reports Server (NTRS)

Maung, Khin Maung; Kahana, David E.; Norbury, John W.

1992-01-01

Studies of meson spectroscopy have often employed a nonrelativistic Coulomb plus Linear Confining potential in position space. However, because the quarks in mesons move at an appreciable fraction of the speed of light, it is necessary to use a relativistic treatment of the bound state problem. Such a treatment is most easily carried out in momentum space. However, the position space Linear and Coulomb potentials lead to singular kernels in momentum space. Using a subtraction procedure we show how to remove these singularities exactly and thereby solve the Schroedinger equation in momentum space for all partial waves. Furthermore, we generalize the Linear and Coulomb potentials to relativistic kernels in four dimensional momentum space. Again we use a subtraction procedure to remove the relativistic singularities exactly for all partial waves. This enables us to solve three dimensional reductions of the Bethe-Salpeter equation. We solve six such equations for Coulomb plus Confining interactions for all partial waves.

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe-Salpeter equation.

PubMed

Ziaei, Vafa; Bredow, Thomas

2018-05-31

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe-Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

Exciton self-trapping and Stark effect in the optical response of pentacene crystals from first principles

NASA Astrophysics Data System (ADS)

Strubbe, David A.; Sharifzadeh, Sahar; Neaton, Jeffrey B.; Louie, Steven G.

2012-02-01

Pentacene is a prototypical organic semiconductor with optoelectronic and photovoltaic applications. It is known that the lowest-energy singlet excitation has a Stokes shift between absorption and emission of about 0.14 eV, but the deformation associated with this self-trapped exciton remains unknown. We begin with a calculation of the optical properties via the first-principles GW/Bethe-Salpeter (BSE) theory [ML Tiago, JE Northrup, and SG Louie, Phys. Rev. B 67, 115212 (2003); S Sharifzadeh, A Biller, L Kronik, and JB Neaton, arXiv:1110.4928 (2011)]. We then study the self-trapping phenomenon via our reformulation of the Bethe-Salpeter excited-state forces approximation of Ismail-Beigi and Louie [Phys. Rev. Lett. 90, 076401 (2003)], which can describe the structural relaxation after optical excitation. Whether excitons in pentacene have charge-transfer character has been controversial in electro-absorption experiments. We use the same BSE analytic derivatives approach to calculate the changes in excitation energies due to an applied electric field to understand this experimental controversy.

Expanding the Bethe/Gauge dictionary

NASA Astrophysics Data System (ADS)

Bullimore, Mathew; Kim, Hee-Cheol; Lukowski, Tomasz

2017-11-01

We expand the Bethe/Gauge dictionary between the XXX Heisenberg spin chain and 2d N = (2, 2) supersymmetric gauge theories to include aspects of the algebraic Bethe ansatz. We construct the wave functions of off-shell Bethe states as orbifold defects in the A-twisted supersymmetric gauge theory and study their correlation functions. We also present an alternative description of off-shell Bethe states as boundary conditions in an effective N = 4 supersymmetric quantum mechanics. Finally, we interpret spin chain R-matrices as correlation functions of Janus interfaces for mass parameters in the supersymmetric quantum mechanics.

Boundary perimeter Bethe ansatz

NASA Astrophysics Data System (ADS)

Frassek, Rouven

2017-06-01

We study the partition function of the six-vertex model in the rational limit on arbitrary Baxter lattices with reflecting boundary. Every such lattice is interpreted as an invariant of the twisted Yangian. This identification allows us to relate the partition function of the vertex model to the Bethe wave function of an open spin chain. We obtain the partition function in terms of creation operators on a reference state from the algebraic Bethe ansatz and as a sum of permutations and reflections from the coordinate Bethe ansatz.

Two-peak structure in the K-edge RIXS spectra of a spatially frustrated Heisenberg antiferromagnet

NASA Astrophysics Data System (ADS)

Datta, Trinanjan; Luo, Cheng; Yao, Dao-Xin

2014-03-01

Quantum fluctuations due to spatial anisotropy and strong magnetic frustration lead to the formation of a two-peak structure in the K-edge bimagnon RIXS intensity spectra of a Jx-Jy-J2 Heisenberg model on a square lattice. We compute the RIXS intensity, including up to first order 1/S spin wave expansion correction, using the Bethe-Salpeter equation within the ladder approximation scheme. The two-peak feature occurs in both the antiferromagnetic phase and the collinear antiferromagnetic phase. A knowledge of the peak splitting energy from both magnetically ordered regime can provide experimentalists with an alternative means to measure and study the effects of local microscopic exchange constants. Cottrell Research Corporation, NSFC-11074310, NSFC-11275279, Specialized Research Fund for the Doctoral Program of Higher Education.

Effects of phonon broadening on x-ray near-edge spectra in molecular crystals

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Elam, Tim; Denlinger, Jonathon

2014-03-01

Calculations of near-edge x-ray spectra are often carried out using the average atomic coordinates from x-ray or neutron scattering experiments or from density functional theory (DFT) energy minimization. This neglects disorder from thermal and zero-point vibrations. Here we look at the nitrogen K-edge of ammonium chloride and ammonium nitrate, comparing Bethe-Salpeter calculations of absorption and fluorescence to experiment. We find that intra-molecular vibrational effects lead to significant, non-uniform broadening of the spectra, and that for some features zero-point motion is the primary source of the observed shape.

Relativistic bound states in three space-time dimensions in Minkowski space

NASA Astrophysics Data System (ADS)

Gutierrez, C.; Gigante, V.; Frederico, T.; Tomio, Lauro

2016-01-01

With the aim to derive a workable framework for bound states in Minkowski space, we have investigated the Nakanishi perturbative integral representation of the Bethe-Salpeter (BS) amplitude in two-dimensions (2D) in space and time (2+1). The homogeneous BS amplitude, projected onto the light-front plane, is used to derive an equation for the Nakanishi weight function. The formal development is illustrated in detail and applied to the bound system composed by two scalar particles interacting through the exchange of a massive scalar. The explicit forms of the integral equations are obtained in ladder approximation.

The infrared behaviour of QCD Green's functions. Confinement, dynamical symmetry breaking, and hadrons as relativistic bound states

NASA Astrophysics Data System (ADS)

Alkofer, Reinhard; von Smekal, Lorenz

2001-11-01

Recent studies of QCD Green's functions and their applications in hadronic physics are reviewed. We discuss the definition of the generating functional in gauge theories, in particular, the rôle of redundant degrees of freedom, possibilities of a complete gauge fixing versus gauge fixing in presence of Gribov copies, BRS invariance and positivity. The apparent contradiction between positivity and colour antiscreening in combination with BRS invariance in QCD is considered. Evidence for the violation of positivity by quarks and transverse gluons in the covariant gauge is collected, and it is argued that this is one manifestation of confinement. We summarise the derivation of the Dyson-Schwinger equations (DSEs) of QED and QCD. For the latter, the implications of BRS invariance on the Green's functions are explored. The possible influence of instantons on DSEs is discussed in a two-dimensional model. In QED in (2+1) and (3+1) dimensions, the solutions for Green's functions provide tests of truncation schemes which can under certain circumstances be extended to the DSEs of QCD. We discuss some limitations of such extensions and assess the validity of assumptions for QCD as motivated from studies in QED. Truncation schemes for DSEs are discussed in axial and related gauges, as well as in the Landau gauge. Furthermore, we review the available results from a systematic non-perturbative expansion scheme established for Landau gauge QCD. Comparisons to related lattice results, where available, are presented. The applications of QCD Green's functions to hadron physics are summarised. Properties of ground state mesons are discussed on the basis of the ladder Bethe-Salpeter equation for quarks and antiquarks. The Goldstone nature of pseudoscalar mesons and a mechanism for diquark confinement beyond the ladder approximation are reviewed. We discuss some properties of ground state baryons based on their description as Bethe-Salpeter/Faddeev bound states of quark-diquark correlations in the quantum field theory of confined quarks and gluons.

Extraction of hadron interactions above inelastic threshold in lattice QCD.

PubMed

Aoki, Sinya; Ishii, Noriyoshi; Doi, Takumi; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Murano, Keiko; Nemura, Hidekatsu; Sasaki, Kenji

2011-01-01

We propose a new method to extract hadron interactions above inelastic threshold from the Nambu-Bethe-Salpeter amplitude in lattice QCD. We consider the scattering such as A + B → C + D, where A, B, C, D are names of different 1-particle states. An extension to cases where particle productions occur during scatterings is also discussed.

Contemporary continuum QCD approaches to excited hadrons

NASA Astrophysics Data System (ADS)

El-Bennich, Bruno; Rojas, Eduardo

2016-03-01

Amongst the bound states produced by the strong interaction, radially excited meson and nucleon states offer an important phenomenological window into the long-range behavior of the coupling constant in Quantum Chromodynamics. We here report on some technical details related to the computation of the bound state's eigenvalue spectrum in the framework of Bethe-Salpeter and Faddeev equations.

Color-suppression of non-planar diagrams in bosonic bound states

NASA Astrophysics Data System (ADS)

Alvarenga Nogueira, J. H.; Ji, Chueng-Ryong; Ydrefors, E.; Frederico, T.

2018-02-01

We study the suppression of non-planar diagrams in a scalar QCD model of a meson system in 3 + 1 space-time dimensions due to the inclusion of the color degrees of freedom. As a prototype of the color-singlet meson, we consider a flavor-nonsinglet system consisting of a scalar-quark and a scalar-antiquark with equal masses exchanging a scalar-gluon of a different mass, which is investigated within the framework of the homogeneous Bethe-Salpeter equation. The equation is solved by using the Nakanishi representation for the manifestly covariant bound-state amplitude and its light-front projection. The resulting non-singular integral equation is solved numerically. The damping of the impact of the cross-ladder kernel on the binding energies are studied in detail. The color-suppression of the cross-ladder effects on the light-front wave function and the elastic electromagnetic form factor are also discussed. As our results show, the suppression appears significantly large for Nc = 3, which supports the use of rainbow-ladder truncations in practical non-perturbative calculations within QCD.

A systematic approach to sketch Bethe-Salpeter equation

NASA Astrophysics Data System (ADS)

Qin, Si-xue

2016-03-01

To study meson properties, one needs to solve the gap equation for the quark propagator and the Bethe-Salpeter (BS) equation for the meson wavefunction, self-consistently. The gluon propagator, the quark-gluon vertex, and the quark-anti-quark scattering kernel are key pieces to solve those equations. Predicted by lattice-QCD and Dyson-Schwinger analyses of QCD's gauge sector, gluons are non-perturbatively massive. In the matter sector, the modeled gluon propagator which can produce a veracious description of meson properties needs to possess a mass scale, accordingly. Solving the well-known longitudinal Ward-Green-Takahashi identities (WGTIs) and the less-known transverse counterparts together, one obtains a nontrivial solution which can shed light on the structure of the quark-gluon vertex. It is highlighted that the phenomenologically proposed anomalous chromomagnetic moment (ACM) vertex originates from the QCD Lagrangian symmetries and its strength is proportional to the magnitude of dynamical chiral symmetry breaking (DCSB). The color-singlet vector and axial-vector WGTIs can relate the BS kernel and the dressed quark-gluon vertex to each other. Using the relation, one can truncate the gap equation and the BS equation, systematically, without violating crucial symmetries, e.g., gauge symmetry and chiral symmetry.

B^+→ K^-π ^+π ^+: Three-Body Final State Interactions and Kπ Isospin States

NASA Astrophysics Data System (ADS)

Nogueira, J. H. Alvarenga; Frederico, T.; Lourenço, O.

2017-03-01

In this exploratory study, final state interactions are considered to formulate the B meson decay amplitude for the Kπ π channel. The Faddeev decomposition of the Bethe-Salpeter equation is used in order to build a relativistic three-body model within the light-front framework. The S-wave scattering amplitude for the Kπ system is considered in the 1/2 and 3/2 isospin channels with the set of inhomogeneous integral equations solved perturbatively. In comparison with previous results for the D meson decay in the same channel, one has to consider the different partonic processes, which build the source amplitudes, and the larger absorption to other decay channels appears, that are important features to be addressed. As in the D decay case, the convergence of the rescattering perturbative series is also achieved with two-loop contributions.

Nonequilibrium itinerant-electron magnetism: A time-dependent mean-field theory

NASA Astrophysics Data System (ADS)

Secchi, A.; Lichtenstein, A. I.; Katsnelson, M. I.

2016-08-01

We study the dynamical magnetic susceptibility of a strongly correlated electronic system in the presence of a time-dependent hopping field, deriving a generalized Bethe-Salpeter equation that is valid also out of equilibrium. Focusing on the single-orbital Hubbard model within the time-dependent Hartree-Fock approximation, we solve the equation in the nonequilibrium adiabatic regime, obtaining a closed expression for the transverse magnetic susceptibility. From this, we provide a rigorous definition of nonequilibrium (time-dependent) magnon frequencies and exchange parameters, expressed in terms of nonequilibrium single-electron Green's functions and self-energies. In the particular case of equilibrium, we recover previously known results.

h -AlN-Mg(OH)2 van der Waals bilayer heterostructure: Tuning the excitonic characteristics

NASA Astrophysics Data System (ADS)

Bacaksiz, C.; Dominguez, A.; Rubio, A.; Senger, R. T.; Sahin, H.

2017-02-01

Motivated by recent studies that reported the successful synthesis of monolayer Mg (OH) 2 [Suslu et al., Sci. Rep. 6, 20525 (2016), 10.1038/srep20525] and hexagonal (h -)AlN [Tsipas et al., Appl. Phys. Lett. 103, 251605 (2013), 10.1063/1.4851239], we investigate structural, electronic, and optical properties of vertically stacked h -AlN and Mg (OH) 2 , through ab initio density-functional theory (DFT), many-body quasiparticle calculations within the GW approximation and the Bethe-Salpeter equation (BSE). It is obtained that the bilayer heterostructure prefers the A B' stacking having direct band gap at the Γ with Type-II band alignment in which the valance band maximum and conduction band minimum originate from different layer. Regarding the optical properties, the imaginary part of the dielectric function of the individual layers and heterobilayer are investigated. The heterobilayer possesses excitonic peaks, which appear only after the construction of the heterobilayer. The lowest three exciton peaks are analyzed in detail by means of band decomposed charge density and the oscillator strength. Furthermore, the wave function calculation shows that the first peak of the heterobilayer originates from spatially indirect exciton where the electron and hole localized at h -AlN and Mg (OH) 2 , respectively, which is important for the light harvesting applications.

Evidence of ghost suppression in gluon mass scale dynamics

NASA Astrophysics Data System (ADS)

Aguilar, A. C.; Binosi, D.; Figueiredo, C. T.; Papavassiliou, J.

2018-03-01

In this work we study the impact that the ghost sector of pure Yang-Mills theories may have on the generation of a dynamical gauge boson mass scale, which hinges on the appearance of massless poles in the fundamental vertices of the theory, and the subsequent realization of the well-known Schwinger mechanism. The process responsible for the formation of such structures is itself dynamical in nature, and is governed by a set of Bethe-Salpeter type of integral equations. While in previous studies the presence of massless poles was assumed to be exclusively associated with the background-gauge three-gluon vertex, in the present analysis we allow them to appear also in the corresponding ghost-gluon vertex. The full analysis of the resulting Bethe-Salpeter system reveals that the contribution of the poles associated with the ghost-gluon vertex are particularly suppressed, their sole discernible effect being a slight modification in the running of the gluon mass scale, for momenta larger than a few GeV. In addition, we examine the behavior of the (background-gauge) ghost-gluon vertex in the limit of vanishing ghost momentum, and derive the corresponding version of Taylor's theorem. These considerations, together with a suitable Ansatz, permit us the full reconstruction of the pole sector of the two vertices involved.

Momentum distributions for H 2 ( e , e ' p )

DOE PAGES

Ford, William P.; Jeschonnek, Sabine; Van Orden, J. W.

2014-12-29

[Background] A primary goal of deuteron electrodisintegration is the possibility of extracting the deuteron momentum distribution. This extraction is inherently fraught with difficulty, as the momentum distribution is not an observable and the extraction relies on theoretical models dependent on other models as input. [Purpose] We present a new method for extracting the momentum distribution which takes into account a wide variety of model inputs thus providing a theoretical uncertainty due to the various model constituents. [Method] The calculations presented here are using a Bethe-Salpeter like formalism with a wide variety of bound state wave functions, form factors, and finalmore » state interactions. We present a method to extract the momentum distributions from experimental cross sections, which takes into account the theoretical uncertainty from the various model constituents entering the calculation. [Results] In order to test the extraction pseudo-data was generated, and the extracted "experimental'' distribution, which has theoretical uncertainty from the various model inputs, was compared with the theoretical distribution used to generate the pseudo-data. [Conclusions] In the examples we compared the original distribution was typically within the error band of the extracted distribution. The input wave functions do contain some outliers which are discussed in the text, but at least this process can provide an upper bound on the deuteron momentum distribution. Due to the reliance on the theoretical calculation to obtain this quantity any extraction method should account for the theoretical error inherent in these calculations due to model inputs.« less

Quasi-particle energies and optical excitations of hydrogenated and fluorinated germanene.

PubMed

Shu, Huabing; Li, Yunhai; Wang, Shudong; Wang, Jinlan

2015-02-14

Using density functional theory, the G0W0 method and Bethe-Salpeter equation calculations, we systematically explore the structural, electronic and optical properties of hydrogenated and fluorinated germanene. The hydrogenated/fluorinated germanene tends to form chair and zigzag-line configurations and its electronic and optical properties show close geometry dependence. The chair hydrogenated/fluorinated and zigzag-line fluorinated germanene are direct band-gap semiconductors, while the zigzag-line hydrogenated germanene owns an indirect band-gap. Moreover, the quasi-particle corrections are significant and strong excitonic effects with large exciton binding energies are observed. Moreover, the zigzag-line hydrogenated/fluorinated germanene shows highly anisotropic optical responses, which may be used as a good optical linear polarizer.

On the possibility of singlet fission in crystalline quaterrylene

NASA Astrophysics Data System (ADS)

Wang, Xiaopeng; Liu, Xingyu; Cook, Cameron; Schatschneider, Bohdan; Marom, Noa

2018-05-01

Singlet fission (SF), the spontaneous down-conversion of a singlet exciton into two triplet excitons residing on neighboring molecules, is a promising route to improve organic photovoltaic (OPV) device efficiencies by harvesting two charge carriers from one photon. However, only a few materials have been discovered that exhibit intermolecular SF in the solid state, most of which are acene derivatives. Recently, there has been a growing interest in rylenes as potential SF materials. We use many-body perturbation theory in the GW approximation and the Bethe-Salpeter equation to investigate the possibility of intermolecular SF in crystalline perylene and quaterrylene. A new method is presented for determining the percent charge transfer (%CT) character of an exciton wave-function from double-Bader analysis. This enables relating exciton probability distributions to crystal packing. Based on comparison to known and predicted SF materials with respect to the energy conservation criterion (ES-2ET) and %CT, crystalline quaterrylene is a promising candidate for intermolecular SF. Furthermore, quaterrylene is attractive for OPV applications, thanks to its high stability and narrow optical gap. Perylene is not expected to exhibit SF; however, it is a promising candidate for harvesting sub-gap photons by triplet-triplet annihilation.

On the possibility of singlet fission in crystalline quaterrylene.

PubMed

Wang, Xiaopeng; Liu, Xingyu; Cook, Cameron; Schatschneider, Bohdan; Marom, Noa

2018-05-14

Singlet fission (SF), the spontaneous down-conversion of a singlet exciton into two triplet excitons residing on neighboring molecules, is a promising route to improve organic photovoltaic (OPV) device efficiencies by harvesting two charge carriers from one photon. However, only a few materials have been discovered that exhibit intermolecular SF in the solid state, most of which are acene derivatives. Recently, there has been a growing interest in rylenes as potential SF materials. We use many-body perturbation theory in the GW approximation and the Bethe-Salpeter equation to investigate the possibility of intermolecular SF in crystalline perylene and quaterrylene. A new method is presented for determining the percent charge transfer (%CT) character of an exciton wave-function from double-Bader analysis. This enables relating exciton probability distributions to crystal packing. Based on comparison to known and predicted SF materials with respect to the energy conservation criterion (E S -2E T ) and %CT, crystalline quaterrylene is a promising candidate for intermolecular SF. Furthermore, quaterrylene is attractive for OPV applications, thanks to its high stability and narrow optical gap. Perylene is not expected to exhibit SF; however, it is a promising candidate for harvesting sub-gap photons by triplet-triplet annihilation.

In-Medium K^+ Electromagnetic Form Factor with a Symmetric Vertex in a Light Front Approach

NASA Astrophysics Data System (ADS)

Yabusaki, George H. S.; de Melo, J. P. B. C.; de Paula, Wayne; Tsushima, K.; Frederico, T.

2018-05-01

Using the light-front K^ +-Meson wave function based on a Bethe-Salpeter amplitude model for the Quark-Antiquark bound state, we study the Electromagnetic Form Factor (EMFF) of the K^ +-Meson in nuclear medium within the framework of light-front field theory. The K^ +-Meson model we adopt is well constrained by previous and recent studies to explain its properties in vacuum. The in-medium K^ +-Meson EMFF is evaluated for the plus-component of the electromagnetic current, J^+, in the Breit frame. In order to consistently incorporate the constituent up and antistrange Quarks of the K^ +-Meson immersed in symmetric nuclear matter, we use the Quark-Meson coupling model, which has been widely applied to various hadronic and nuclear phenomena in a nuclear medium with success. We predict the in-medium modification of the K^ +-Meson EMFF in symmetric nuclear matter. It is found that, after a fine tuning of the regulator mass, i.e. m_R = 0.600 GeV, the model is suitable to fit the available experimental data in vacuum within the theoretical uncertainties, and based on this we predict the in-medium modification of the K^ +-Meson EMFF.

Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach

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

Duchemin, Ivan, E-mail: ivan.duchemin@cea.fr; Jacquemin, Denis; Institut Universitaire de France, 1 rue Descartes, 75005 Paris Cedex 5

We have implemented the polarizable continuum model within the framework of the many-body Green’s function GW formalism for the calculation of electron addition and removal energies in solution. The present formalism includes both ground-state and non-equilibrium polarization effects. In addition, the polarization energies are state-specific, allowing to obtain the bath-induced renormalisation energy of all occupied and virtual energy levels. Our implementation is validated by comparisons with ΔSCF calculations performed at both the density functional theory and coupled-cluster single and double levels for solvated nucleobases. The present study opens the way to GW and Bethe-Salpeter calculations in disordered condensed phases ofmore » interest in organic optoelectronics, wet chemistry, and biology.« less

First Principles Optical Absorption Spectra of Organic Molecules Adsorbed on Titania Nanoparticles

NASA Astrophysics Data System (ADS)

Baishya, Kopinjol; Ogut, Serdar; Mete, Ersen; Gulseren, Oguz; Ellialtioglu, Sinasi

2012-02-01

We present results from first principles computations on passivated rutile TiO2 nanoparticles in both free-standing and dye-sensitized configurations to investigate the size dependence of their optical absorption spectra. The computations are performed using time-dependent density functional theory (TDDFT) as well as GW-Bethe-Salpeter-Equation (GWBSE) methods and compared with each other. We interpret the first principles spectra for free-standing TiO2 nanoparticles within the framework of the classical Mie-Gans theory using the bulk dielectric function of TiO2. We investigate the effects of the titania support on the absorption spectra of a particular set of perylene-diimide (PDI) derived dye molecules, namely brominated PDI (Br2C24H8N2O4) and its glycine and aspartine derivatives.

First-Principle Calculation of Quasiparticle Excitations and Optical Absorption in NiO

NASA Astrophysics Data System (ADS)

Li, Je-Luen; Rignanese, Gian-Marco; Louie, Steven G.

2001-03-01

We present a first-principle study of the quasiparticle excitations and optical absorption spectrum in NiO. The ground state electronic structure is calculated with the generalized gradient approximation in density functional theory and ab initio pseudopotential. The quasiparticle energies are then computed employing the GW approximation. In addition to comparing to photoemisson result, comparison between the measured and calculated complex dielectric function helps to identify the onset of excitations in this system. We illustrate some subtleties of pseudopotential calculations: the effect of including 3 s and 3p electrons in Ni pseudopotential; the difference between using velocity and momentum operators in the RPA dielectric function. Finally, we discuss a recent effort to solve the Bethe-Salpeter equation for the optical spectrum in this spin polarized system to address the remaining discrepancy between theory and experiment.

Obituary: Edwin E. Salpeter (1924-2008)

NASA Astrophysics Data System (ADS)

Trimble, Virginia; Terzian, Yervant

2009-12-01

Edwin E. Salpeter, who died 26 November 2008 at his home in Ithaca, NY, belonged to the "second wave" of Jewish scientific refugees from Nazi-dominated Europe, those who left as children just before the onset of WWII and so completed their educations elsewhere. Salpeter was born in Vienna on 3 December 1924, and arrived with his family in Australia in 1939, his father was a physicist and a close friend of Erwin Schrodinger. In Australia, he finished high school, and he entered the University of Sydney at the early age of 16. He received his BS and MSc degrees in physics and mathematics from the University of Sydney, before moving on to a PhD from the University of Birmingham in 1948, for work with Rudolf Peierls on the electrodynamic self-energy of the electron, the first of more than 380 inventoried publications. He had chosen Birmingham over Cambridge or Oxford because of Peierls, and then chose Cornell over Princeton because of Hans Bethe's presence there. His autobiography describes those as two of his very best decisions ever. Marrying psychobiology student Miriam (Mika) Mark less than a year after arriving at Cornell was surely the third, and they remained in Ithaca the rest of their lives, eventually collaborating on some projects in neurobiology before her death in 2000. Their household was a secular one, but (Ed told a colleague) their two daughters received a basic Jewish education "just in case." Daughter Shelley Salpeter and her son Nicholas Buckley were also collaborators with Salpeter on 21st century projects in meta-analysis, epidemiology, and other statistics-heavy problems in biomedicine. Ed Salpeter is survived by his second wife, Antonia (Lhamo) Shouse. Astronomers may be interested to learn that the Cornell press release announcing his death was prepared by Lauren Gold, daughter of Thomas Gold (and Carrie Gold) the co-author of the steady state theory. Apparently, Ed's father Jakob Salpeter late in life considered the anisotropy reported in the Cosmic Microwave Background and wrote in 1968 to Ron Bracewell and Edward Conklin, who had measured it, expressing puzzlement and doubt that there could be preferred frame effects within special relativity. Ed Salpeter described himself as a generalist, always ready to look at new problems in new fields, and a young colleague quoted him as saying there were problems to be solved on backs of envelopes of various sizes. The result was that he made significant contributions in quantum electro- dynamics (the Bethe-Salpeter equation), nuclear physics (electron screening corrections) and astrophysics (helium burning and beyond), stellar populations (the Salpeter initial mass function and galactic chemical evolution), ionospheric physics (his most-cited paper, because of a Raman-like backscatter effect that is useful for measuring electron densities in laboratory plasmas), equations of state for dense matter (e.g. Jovian planet cores), neutrino emission processes, black hole accretion as an AGN energy source (contemporary with a similar idea from Zeldovich, and before the black hole name had even been coined), interstellar atomic and molecular gas, HI rotation curves, and other aspects of astrophysical dark matter. This is not a complete list! In 2004 a special symposium was organized by his students and colleagues near Siena, Italy, to celebrate the 50 years since his publication of the Initial Mass Function that coincided with his 80th birthday. The symposium proceedings 'The Initial Mass Function: 50 Years Later' was dedicated to Ed 'from whom we have learned so much, to his insight and friendship'. Ed Salpeter received a security clearance in the mid-1950's and kept it up, so that, in addition to evaluating various anti-ballistic-missile defense schemes as a member of the JASONS, he was one of 17 participants in the 1985-87 APS study of directed energy weapons, also known as Star Wars. The panel was unanimous in technical disapproval of the project, and many undoubtedly shared Ed's moral disapproval. His 21 year term as the astrophysics member of the editorial board of Reviews of Modern Physics (1971-92) remains a record and arose from a combination of extremely good judgment and patience with authors, referees, and other editors. His experience as a member of the National Science Board (1978-84) was a less happy one, and he felt he had not been an effective one when the NSF decided to back out of supporting a national-facility large millimeter dish, leaving that territory to individual university groups and the Europeans. How many students did Ed Salpeter have? Well, lots. He was advisor or committee chair for students in computer and geological sciences as well as in physics and astronomy, and was sometimes part of teams he called "two chiefs and one Indian" for additional students. No complete list seems to exist, but the incomplete lists add up to at least 55. Of those, you are likely to have heard of or know (because we do!): Hubert Reeves (who has great-grandstudents of his own!), George Helou, Vahe Petrosian, Bill Newman, Nathan Krumm, Bruce Tarter, Jonathan Katz, Lars Bildsten, Allen Boozer, Bruce Draine, Robert Gould, Nicolas Krall, Richard Lovelace, David Stevenson, Hugh Van Horn, Lyle Hoffman, and Edvige Corbelli. Thus he lived to achieve that mark of maturity, being invited to retirement parties for ones students. Former students, collaborators, and all spoke uniformly of his generosity, quick understanding, and willingness to discuss science on any and all occasions. Among the honors Ed Salpeter received were four honorary D.Sc.'s, five academy memberships, and major prizes from the Royal Astronomical Society, the American Astronomical Society, the Astronomical Society of the Pacific, the American Physical Society, the Royal Swedish Academy, and the Astronomische Gesellschaft (AG). The text of his AG lecture was published in English, but he told one of us that he felt he no longer had a native language, because he couldn't really think in German any more, but his English was noticeably accented. EES was not the only Nazi refugee astronomer to deliver the (Karl) Schwarzschild lecture. Martin Schwarzshild (who had a Goettingen PhD) provided his lecture in German, but a 1968 speaker, Peter A.G. Scheuer (who left Germany at age 9) was asked to continue in English after the first two sentences. In his long and spectacularly productive life Ed Salpeter remained a modest person who loved to have a good time, on the ski slopes, or throwing large parties at his home. Most of all he enjoyed working closely with his students who have been deeply inspired by his keen intuition.

Macroscopic dielectric function within time-dependent density functional theory—Real time evolution versus the Casida approach

NASA Astrophysics Data System (ADS)

Sander, Tobias; Kresse, Georg

2017-02-01

Linear optical properties can be calculated by solving the time-dependent density functional theory equations. Linearization of the equation of motion around the ground state orbitals results in the so-called Casida equation, which is formally very similar to the Bethe-Salpeter equation. Alternatively one can determine the spectral functions by applying an infinitely short electric field in time and then following the evolution of the electron orbitals and the evolution of the dipole moments. The long wavelength response function is then given by the Fourier transformation of the evolution of the dipole moments in time. In this work, we compare the results and performance of these two approaches for the projector augmented wave method. To allow for large time steps and still rely on a simple difference scheme to solve the differential equation, we correct for the errors in the frequency domain, using a simple analytic equation. In general, we find that both approaches yield virtually indistinguishable results. For standard density functionals, the time evolution approach is, with respect to the computational performance, clearly superior compared to the solution of the Casida equation. However, for functionals including nonlocal exchange, the direct solution of the Casida equation is usually much more efficient, even though it scales less beneficial with the system size. We relate this to the large computational prefactors in evaluating the nonlocal exchange, which renders the time evolution algorithm fairly inefficient.

Manipulating Light with Transition Metal Clusters, Organic Dyes, and Metal Organic Frameworks

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

Ogut, Serdar

The primary goals of our research program is to develop and apply state-of-the-art first-principles methods to predict electronic and optical properties of three systems of significant scientific and technological interest: transition metal clusters, organic dyes, and metal-organic frameworks. These systems offer great opportunities to manipulate light for a wide ranging list of energy-related scientific problems and applications. During this grant period, we focused our investigations on the development, implementation, and benchmarking of many-body Green’s function methods (GW approximation and the Bethe-Salpeter equation) to examine excited-state properties of transition metal/transition-metal-oxide clusters and organic molecules that comprise the building blocks of dyesmore » and metal-organic frameworks.« less

Three-body unitarity with isobars revisited

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

Mai, M.; Hu, B.; Döring, M.

The particle exchange model of hadron interactions can be used to describe three-body scattering under the isobar assumption. Here, we start from the 3->3 scattering amplitude for spinless particles, which contains an isobar-spectator scattering amplitude. Using a Bethe-Salpeter Ansatz for the latter, we derive a relativistic three-dimensional scattering equation that manifestly fulfills three-body unitarity and two-body unitarity for the sub-amplitudes. Furthermore, this property holds for energies above breakup and also in the presence of resonances in the sub-amplitudes.

Three-body unitarity with isobars revisited

DOE PAGES

Mai, M.; Hu, B.; Döring, M.; ...

2017-09-08

The particle exchange model of hadron interactions can be used to describe three-body scattering under the isobar assumption. Here, we start from the 3->3 scattering amplitude for spinless particles, which contains an isobar-spectator scattering amplitude. Using a Bethe-Salpeter Ansatz for the latter, we derive a relativistic three-dimensional scattering equation that manifestly fulfills three-body unitarity and two-body unitarity for the sub-amplitudes. Furthermore, this property holds for energies above breakup and also in the presence of resonances in the sub-amplitudes.

The pion form factor from first principles

NASA Astrophysics Data System (ADS)

van der Heide, J.

2004-08-01

We calculate the electromagnetic form factor of the pion in quenched lattice QCD. The non-perturbatively improved Sheikoleslami-Wohlert lattice action is used together with the O(a) improved current. We calculate form factor for pion masses down to mπ = 380 MeV. We compare the mean square radius for the pion extracted from our form factors to the value obtained from the `Bethe Salpeter amplitude'. Using (quenched) chiral perturbation theory, we extrapolate our results towards the physical pion mass.

Effects of molecular packing in organic crystals on singlet fission with ab initio many body perturbation theory

NASA Astrophysics Data System (ADS)

Haber, Jonah; Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

Multi-exciton generation processes, in which multiple charge carriers are generated from a single photon, are mechanisms of significant interest for achieving efficiencies beyond the Shockley-Queisser limit of conventional p-n junction solar cells. One well-studied multiexciton process is singlet fission, whereby a singlet decays into two spin-correlated triplet excitons. Here, we use a newly developed computational approach to calculate singlet-fission coupling terms and rates with an ab initio Green's function formalism based on many-body perturbation theory (MBPT) within the GW approximation and the Bethe-Salpeter equation approach. We compare results for crystalline pentacene and TIPS-pentacene and explore the effect of molecular packing on the singlet fission mechanism. This work is supported by the Department of Energy.

Three-body spectrum in a finite volume: The role of cubic symmetry

DOE PAGES

Doring, M.; Hammer, H. -W.; Mai, M.; ...

2018-06-15

The three-particle quantization condition is partially diagonalized in the center-of-mass frame by using cubic symmetry on the lattice. To this end, instead of spherical harmonics, the kernel of the Bethe-Salpeter equation for particle-dimer scattering is expanded in the basis functions of different irreducible representations of the octahedral group. Such a projection is of particular importance for the three-body problem in the finite volume due to the occurrence of three-body singularities above breakup. Additionally, we study the numerical solution and properties of such a projected quantization condition in a simple model. It is shown that, for large volumes, these solutions allowmore » for an instructive interpretation of the energy eigenvalues in terms of bound and scattering states.« less

Three-body spectrum in a finite volume: The role of cubic symmetry

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

Doring, M.; Hammer, H. -W.; Mai, M.

The three-particle quantization condition is partially diagonalized in the center-of-mass frame by using cubic symmetry on the lattice. To this end, instead of spherical harmonics, the kernel of the Bethe-Salpeter equation for particle-dimer scattering is expanded in the basis functions of different irreducible representations of the octahedral group. Such a projection is of particular importance for the three-body problem in the finite volume due to the occurrence of three-body singularities above breakup. Additionally, we study the numerical solution and properties of such a projected quantization condition in a simple model. It is shown that, for large volumes, these solutions allowmore » for an instructive interpretation of the energy eigenvalues in terms of bound and scattering states.« less

Zn-VI quasiparticle gaps and optical spectra from many-body calculations.

PubMed

Riefer, A; Weber, N; Mund, J; Yakovlev, D R; Bayer, M; Schindlmayr, Arno; Meier, C; Schmidt, W G

2017-06-01

The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe compounds are determined within hybrid-density-functional theory and quasiparticle calculations. It is found that the band-edge energies calculated on the [Formula: see text] (Zn chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully self-consistent QSGW calculations are required for the correct description of the Zn 3d bands. The quasiparticle band structures are used to calculate the linear response and second-harmonic-generation (SHG) spectra of the Zn-VI compounds. Excitonic effects in the optical absorption are accounted for within the Bethe-Salpeter approach. The calculated spectra are discussed in the context of previous experimental data and present SHG measurements for ZnO.

Calculation of total electron excitation cross-sections and partial electron ionization cross-sections for the elements. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Green, T. J.

1973-01-01

Computer programs were used to calculate the total electron excitation cross-section for atoms and the partial ionization cross-section. The approximations to the scattering amplitude used are as follows: (1) Born, Bethe, and Modified Bethe for non-exchange excitation; (2) Ochkur for exchange excitation; and (3) Coulomb-Born of non-exchange ionization. The amplitudes are related to the differential cross-sections which are integrated to give the total excitation (or partial ionization) cross-section for the collision. The atomic wave functions used are Hartree-Fock-Slater functions for bound states and the coulomb wave function for the continuum. The programs are presented and the results are examined.

Relativistic proton-nucleus scattering and one-boson-exchange models

NASA Technical Reports Server (NTRS)

Maung, Khin Maung; Gross, Franz; Tjon, J. A.; Townsend, L. W.; Wallace, S. J.

1993-01-01

Relativistic p-(Ca-40) elastic scattering observables are calculated using four sets of relativistic NN amplitudes obtained from different one-boson-exchange (OBE) models. The first two sets are based upon a relativistic equation in which one particle is on mass shell and the other two sets are obtained from a quasipotential reduction of the Bethe-Salpeter equation. Results at 200, 300, and 500 MeV are presented for these amplitudes. Differences between the predictions of these models provide a study of the uncertainty in constructing Dirac optical potentials from OBE-based NN amplitudes.

Final Technical Report [Scalable methods for electronic excitations and optical responses of nanostructures: mathematics to algorithms to observables

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

Saad, Yousef

2014-03-19

The master project under which this work is funded had as its main objective to develop computational methods for modeling electronic excited-state and optical properties of various nanostructures. The specific goals of the computer science group were primarily to develop effective numerical algorithms in Density Functional Theory (DFT) and Time Dependent Density Functional Theory (TDDFT). There were essentially four distinct stated objectives. The first objective was to study and develop effective numerical algorithms for solving large eigenvalue problems such as those that arise in Density Functional Theory (DFT) methods. The second objective was to explore so-called linear scaling methods ormore » Methods that avoid diagonalization. The third was to develop effective approaches for Time-Dependent DFT (TDDFT). Our fourth and final objective was to examine effective solution strategies for other problems in electronic excitations, such as the GW/Bethe-Salpeter method, and quantum transport problems.« less

Potential description of charmonium and charmed-strange mesons from lattice QCD

NASA Astrophysics Data System (ADS)

Kawanai, Taichi; Sasaki, Shoichi

2015-11-01

We present spin-independent and spin-spin interquark potentials for the charmonium and charmed-strange mesons, which are calculated in 2 +1 flavor lattice QCD simulations using the PACS-CS gauge configurations generated at the lightest pion mass (Mπ≈156 (7 ) MeV ) with a lattice cutoff of a-1≈2.2 GeV and a spatial volume of (3 fm )3 . For the charm quark, we use a relativistic heavy quark (RHQ) action with fine tuned RHQ parameters, which closely reproduce both the experimental spin-averaged mass and hyperfine splitting of the 1 S charmonium. The interquark potential and the quark kinetic mass, both of which are key ingredients within the potential description of heavy-heavy and heavy-light mesons, are determined from the equal-time Bethe-Salpeter (BS) amplitude. The charmonium potentials are obtained from the BS wave function of 1 S charmonia (ηc and J /ψ mesons), while the charmed-strange potential are calculated from the Ds and Ds* heavy-light mesons. We then use resulting potentials and quark masses as purely theoretical inputs so as to solve the nonrelativistic Schrödinger equation for calculating accessible energy levels of charmonium and charmed-strange mesons without unknown parameters. The resultant spectra below the D D ¯ and D K thresholds excellently agree with well-established experimental data.

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

Trevisanutto, Paolo E.; Vignale, Giovanni, E-mail: vignaleg@missouri.edu

Ab initio electronic structure calculations of two-dimensional layered structures are typically performed using codes that were developed for three-dimensional structures, which are periodic in all three directions. The introduction of a periodicity in the third direction (perpendicular to the layer) is completely artificial and may lead in some cases to spurious results and to difficulties in treating the action of external fields. In this paper we develop a new approach, which is “native” to quasi-2D materials, making use of basis function that are periodic in the plane, but atomic-like in the perpendicular direction. We show how some of the basicmore » tools of ab initio electronic structure theory — density functional theory, GW approximation and Bethe-Salpeter equation — are implemented in the new basis. We argue that the new approach will be preferable to the conventional one in treating the peculiarities of layered materials, including the long range of the unscreened Coulomb interaction in insulators, and the effects of strain, corrugations, and external fields.« less

Origins of Singlet Fission in Solid Pentacene from an ab initio Green's Function Approach

NASA Astrophysics Data System (ADS)

Refaely-Abramson, Sivan; da Jornada, Felipe H.; Louie, Steven G.; Neaton, Jeffrey B.

2017-12-01

We develop a new first-principles approach to predict and understand rates of singlet fission with an ab initio Green's-function formalism based on many-body perturbation theory. Starting with singlet and triplet excitons computed from a G W plus Bethe-Salpeter equation approach, we calculate the exciton-biexciton coupling to lowest order in the Coulomb interaction, assuming a final state consisting of two noninteracting spin-correlated triplets with finite center-of-mass momentum. For crystalline pentacene, symmetries dictate that the only purely Coulombic fission decay process from a bright singlet state requires a final state consisting of two inequivalent nearly degenerate triplets of nonzero, equal and opposite, center-of-mass momenta. For such a process, we predict a singlet lifetime of 30-70 fs, in very good agreement with experimental data, indicating that this process can dominate singlet fission in crystalline pentacene. Our approach is general and provides a framework for predicting and understanding multiexciton interactions in solids.

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

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

Liang, Yufeng; Vinson, John; Pemmaraju, Sri

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory

DOE PAGES

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; ...

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can bemore » rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.« less

Accurate X-Ray Spectral Predictions: An Advanced Self-Consistent-Field Approach Inspired by Many-Body Perturbation Theory.

PubMed

Liang, Yufeng; Vinson, John; Pemmaraju, Sri; Drisdell, Walter S; Shirley, Eric L; Prendergast, David

2017-03-03

Constrained-occupancy delta-self-consistent-field (ΔSCF) methods and many-body perturbation theories (MBPT) are two strategies for obtaining electronic excitations from first principles. Using the two distinct approaches, we study the O 1s core excitations that have become increasingly important for characterizing transition-metal oxides and understanding strong electronic correlation. The ΔSCF approach, in its current single-particle form, systematically underestimates the pre-edge intensity for chosen oxides, despite its success in weakly correlated systems. By contrast, the Bethe-Salpeter equation within MBPT predicts much better line shapes. This motivates one to reexamine the many-electron dynamics of x-ray excitations. We find that the single-particle ΔSCF approach can be rectified by explicitly calculating many-electron transition amplitudes, producing x-ray spectra in excellent agreement with experiments. This study paves the way to accurately predict x-ray near-edge spectral fingerprints for physics and materials science beyond the Bethe-Salpether equation.

Electronic and optical properties of hexathiapentacene in the gas and crystal phases

NASA Astrophysics Data System (ADS)

Cardia, R.; Malloci, G.; Rignanese, G.-M.; Blase, X.; Molteni, E.; Cappellini, G.

2016-06-01

Using density functional theory (DFT) and its time-dependent (TD) extension, the electronic and optical properties of the hexathiapentacene (HTP) molecule, a derivative of pentacene (PNT) obtained by symmetric substitution of the six central H atoms with S atoms, are investigated for its gas and solid phases. For the molecular structure, all-electron calculations are performed using a Gaussian localized orbital basis set in conjunction with the Becke three-parameter Lee-Yang-Parr (B3LYP) hybrid exchange-correlation functional. Electron affinities, ionization energies, quasiparticle energy gaps, optical absorption spectra, and exciton binding energies are calculated and compared with the corresponding results for PNT, as well as with the available experimental data. The DFT and TDDFT results are also validated by performing many-body perturbation theory calculations within the G W and Bethe-Salpeter equation formalisms. The functionalization with S atoms induces an increase of both ionization energies and electron affinities, a sizable reduction of the fundamental electronic gap, and a redshift of the optical absorption onset. Notably, the intensity of the first absorption peak of HTP falling in the visible region is found to be nearly tripled with respect to the pure PNT molecule. For the crystal structures, pseudopotential calculations are adopted using a plane-wave basis set together with the Perdew-Burke-Ernzerhof exchange-correlation functional empirically corrected in order to take dispersive interactions into account. The electronic excitations are also obtained within a perturbative B3LYP scheme. A comparative analysis is carried out between the ground-state and excited-state properties of crystalline HTP and PNT linking to the findings obtained for the isolated molecules.

Features and flaws of a contact interaction treatment of the kaon

NASA Astrophysics Data System (ADS)

Chen, Chen; Chang, Lei; Roberts, Craig D.; Schmidt, Sebastian M.; Wan, Shaolong; Wilson, David J.

2013-04-01

Elastic and semileptonic transition form factors for the kaon and pion are calculated using the leading order in a global-symmetry-preserving truncation of the Dyson-Schwinger equations and a momentum-independent form for the associated kernels in the gap and Bethe-Salpeter equations. The computed form factors are compared both with those obtained using the same truncation but an interaction that preserves the one-loop renormalization-group behavior of QCD and with data. The comparisons show that in connection with observables revealed by probes with |Q2|≲M2, where M≈0.4GeV is an infrared value of the dressed-quark mass, results obtained using a symmetry-preserving regularization of the contact interaction are not realistically distinguishable from those produced by more sophisticated kernels, and available data on kaon form factors do not extend into the domain whereupon one could distinguish among the interactions. The situation differs if one includes the domain Q2>M2. Thereupon, a fully consistent treatment of the contact interaction produces form factors that are typically harder than those obtained with QCD renormalization-group-improved kernels. Among other things also described are a Ward identity for the inhomogeneous scalar vertex, similarity between the charge distribution of a dressed u quark in the K+ and that of the dressed u quark in the π+, and reflections upon the point whereat one might begin to see perturbative behavior in the pion form factor. Interpolations of the form factors are provided, which should assist in working to chart the interaction between light quarks by explicating the impact on hadron properties of differing assumptions about the behavior of the Bethe-Salpeter kernel.

Stochastic Optimally Tuned Range-Separated Hybrid Density Functional Theory.

PubMed

Neuhauser, Daniel; Rabani, Eran; Cytter, Yael; Baer, Roi

2016-05-19

We develop a stochastic formulation of the optimally tuned range-separated hybrid density functional theory that enables significant reduction of the computational effort and scaling of the nonlocal exchange operator at the price of introducing a controllable statistical error. Our method is based on stochastic representations of the Coulomb convolution integral and of the generalized Kohn-Sham density matrix. The computational cost of the approach is similar to that of usual Kohn-Sham density functional theory, yet it provides a much more accurate description of the quasiparticle energies for the frontier orbitals. This is illustrated for a series of silicon nanocrystals up to sizes exceeding 3000 electrons. Comparison with the stochastic GW many-body perturbation technique indicates excellent agreement for the fundamental band gap energies, good agreement for the band edge quasiparticle excitations, and very low statistical errors in the total energy for large systems. The present approach has a major advantage over one-shot GW by providing a self-consistent Hamiltonian that is central for additional postprocessing, for example, in the stochastic Bethe-Salpeter approach.

Frenkel and Charge-Transfer Excitations in Donor-acceptor Complexes from Many-Body Green's Functions Theory.

PubMed

Baumeier, Björn; Andrienko, Denis; Rohlfing, Michael

2012-08-14

Excited states of donor-acceptor dimers are studied using many-body Green's functions theory within the GW approximation and the Bethe-Salpeter equation. For a series of prototypical small-molecule based pairs, this method predicts energies of local Frenkel and intermolecular charge-transfer excitations with the accuracy of tens of meV. Application to larger systems is possible and allowed us to analyze energy levels and binding energies of excitons in representative dimers of dicyanovinyl-substituted quarterthiophene and fullerene, a donor-acceptor pair used in state of the art organic solar cells. In these dimers, the transition from Frenkel to charge transfer excitons is endothermic and the binding energy of charge transfer excitons is still of the order of 1.5-2 eV. Hence, even such an accurate dimer-based description does not yield internal energetics favorable for the generation of free charges either by thermal energy or an external electric field. These results confirm that, for qualitative predictions of solar cell functionality, accounting for the explicit molecular environment is as important as the accurate knowledge of internal dimer energies.

Calculation of Electronic and Optical Properties of AgGaO2 Polymorphs Using Many-Body Approaches

NASA Astrophysics Data System (ADS)

Dadsetani, Mehrdad; Nejatipour, Reihan

2018-02-01

Ab initio calculations based on many-body perturbation theory have been used to study the electronic and optical properties of AgGaO2 in rhombohedral, hexagonal, and orthorhombic phases. GW calculations showed that AgGaO2 is an indirect-bandgap semiconductor in all three phases with energy bandgap of 2.35 eV, 2.23 eV, and 2.07 eV, in good agreement with available experimental values. By solving the Bethe-Salpeter equation (BSE) using the full potential linearized augmented plane wave basis, optical properties of the AgGaO2 polymorphs were calculated and compared with those obtained using the GW-corrected random phase approximation (RPA) and with existing experimental data. Strong anisotropy in the optical absorption spectra was observed, and the excitonic structures which were absent in the RPA calculations were reproduced in GWBSE calculations, in good agreement with the optical absorption spectrum of the rhombohedral phase. While modifying peak positions and intensities of the absorption spectra, the GWBSE gave rise to the redistribution of oscillator strengths. In comparison with the z-polarized response, excitonic effects in the x-polarized response were dominant. In the x- (and y-) polarized responses of r- and h-AgGaO2, spectral features and excitonic effects occur at the lower energies, but in the case of o-AgGaO2, the spectral structures of the z-polarized response occur at lower energies. In addition, the low-energy loss functions of AgGaO2 were calculated and compared using the GWBSE approach. Spectral features in the energy loss function components near the bandgap region were attributed to corresponding excitonic structures in the imaginary part of the dielectric function.

Phonon dispersions, band structures, and dielectric functions of BeO and BeS polymorphs

NASA Astrophysics Data System (ADS)

Wang, Ke-Long; Gao, Shang-Peng

2018-07-01

Structures, phonon dispersions, electronic structures, and dielectric functions of beryllium oxide (BeO) and beryllium sulfide (BeS) polymorphs are investigated by density functional theory and many-body perturbation theory. Phonon calculations indicate that both wurtzite (w-) and zincblende (zb-) structures are dynamically stable for BeO and BeS, whereas rocksalt (rs-) structures for both BeO and BeS have imaginary phonon frequencies and thus are dynamically unstable at zero pressure. Band structures for the 4 dynamically stable phases show that only w-BeO has a direct band gap. Both the one-shot G0W0 and quasiparticle self-consistent GW methods are used to correct band energies at high symmetry k-points. Bethe-Salpeter equation (BSE), which considers Coulomb correlated electron-hole pairs, is employed to deal with the computation of macroscopic dielectric functions. It is shown that BSE calculation, employing scissors operator derived by self-consistent GW method, can give dielectric functions agreeing very well with experimental measurement of w-BeO. Weak anisotropic characters can be observed for w-BeO and w-BeS. Both zb-BeS and w-BeS show high optical transition probabilities within a narrow ultraviolet energy range.

Is the Bethe–Salpeter Formalism Accurate for Excitation Energies? Comparisons with TD-DFT, CASPT2, and EOM-CCSD

PubMed Central

2017-01-01

Developing ab initio approaches able to provide accurate excited-state energies at a reasonable computational cost is one of the biggest challenges in theoretical chemistry. In that framework, the Bethe–Salpeter equation approach, combined with the GW exchange-correlation self-energy, which maintains the same scaling with system size as TD-DFT, has recently been the focus of a rapidly increasing number of applications in molecular chemistry. Using a recently proposed set encompassing excitation energies of many kinds [J. Phys. Chem. Lett.2016, 7, 586–591], we investigate here the performances of BSE/GW. We compare these results to CASPT2, EOM-CCSD, and TD-DFT data and show that BSE/GW provides an accuracy comparable to the two wave function methods. It is particularly remarkable that the BSE/GW is equally efficient for valence, Rydberg, and charge-transfer excitations. In contrast, it provides a poor description of triplet excited states, for which EOM-CCSD and CASPT2 clearly outperform BSE/GW. This contribution therefore supports the use of the Bethe–Salpeter approach for spin-conserving transitions. PMID:28301726

Optical absorption in disordered monolayer molybdenum disulfide

NASA Astrophysics Data System (ADS)

Ekuma, C. E.; Gunlycke, D.

2018-05-01

We explore the combined impact of sulfur vacancies and electronic interactions on the optical properties of monolayer MoS2. First, we present a generalized Anderson-Hubbard Hamiltonian that accounts for both randomly distributed sulfur vacancies and the presence of dielectric screening within the material. Second, we parametrize this energy-dependent Hamiltonian from first-principles calculations based on density functional theory and the Green's function and screened Coulomb (GW) method. Third, we apply a first-principles-based many-body typical medium method to determine the single-particle electronic structure. Fourth, we solve the Bethe-Salpeter equation to obtain the charge susceptibility χ with its imaginary part being related to the absorbance A . Our results show that an increased vacancy concentration leads to decreased absorption both in the band continuum and from exciton states within the band gap. We also observe increased absorption below the band-gap threshold and present an expression, which describes Lifshitz tails, in excellent qualitative agreement with our numerical calculations. This latter increased absorption in the 1.0 -2.5 eV range makes defect engineering of potential interest for solar cell applications.

Baryon interactions from lattice QCD with physical masses — strangeness S = -1 sector —

NASA Astrophysics Data System (ADS)

Nemura, Hidekatsu; Aoki, Sinya; Doi, Takumi; Gongyo, Shinya; Hatsuda, Tetsuo; Ikeda, Yoichi; Inoue, Takashi; Iritani, Takumi; Ishii, Noriyoshi; Miyamoto, Takaya; Sasaki, Kenji

2018-03-01

We present our recent results of baryon interactions with strangeness S = -1 based on Nambu-Bethe-Salpeter (NBS) correlation functions calculated fromlattice QCD with almost physical quark masses corresponding to (mk,mk) ≈ (146, 525) MeV and large volume (La)4 ≈ (96a)4 ≈ (8.1 fm)4. In order to perform a comprehensive study of baryon interactions, a large number of NBS correlation functions from NN to ΞΞ are calculated simultaneously by using large scale computer resources. In this contribution, we focus on the strangeness S = -1 channels of the hyperon interactions by means of HAL QCD method. Four sets of three potentials (the 3S1 - 3 D1 central, 3S1 - 3 D1 tensor, and the 1S0 central potentials) are presented for the ∑N - ∑N (the isospin I = 3/2) diagonal, the ∧N - ∧N diagonal, the ∧N → ∑N transition, and the ∑N - ∑N (I = 1/2) diagonal interactions. Scattering phase shifts for ∑N (I = 3/2) system are presented.

Site-occupation embedding theory using Bethe ansatz local density approximations

NASA Astrophysics Data System (ADS)

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

2018-06-01

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

Origins of extreme broadening mechanisms in near-edge x-ray spectra of nitrogen compounds

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Elam, W. T.; Denlinger, J. D.

2014-11-01

We demonstrate the observation of many-body lifetime effects in valence-band x-ray emission. A comparison of the N K α emission of crystalline ammonium nitrate to molecular-orbital calculations revealed an unexpected, extreme broadening of the NO σ recombination—so extensively as to virtually disappear. GW calculations establish that this disappearance is due to a large imaginary component of the self-energy associated with the NO σ orbitals. Building upon density-functional theory, we have calculated radiative transitions from the nitrogen 1 s level of ammonium nitrate and ammonium chloride using a Bethe-Salpeter method to include electron-hole interactions. The absorption and emission spectra of both crystals evince large, orbital-dependent sensitivity to molecular dynamics. We demonstrate that many-body effects as well as thermal and zero-point motion are vital for understanding observed spectra. A computational approach using average atomic positions and uniform broadening to account for lifetime and phonon effects is unsatisfactory.

First-principles study of excitonic effects in Raman intensities

NASA Astrophysics Data System (ADS)

Gillet, Yannick; Giantomassi, Matteo; Gonze, Xavier

2013-09-01

The ab initio prediction of Raman intensities for bulk solids usually relies on the hypothesis that the frequency of the incident laser light is much smaller than the band gap. However, when the photon frequency is a sizable fraction of the energy gap, or higher, resonance effects appear. In the case of silicon, when excitonic effects are neglected, the response of the solid to light increases by nearly three orders of magnitude in the range of frequencies between the static limit and the gap. When excitonic effects are taken into account, an additional tenfold increase in the intensity is observed. We include these effects using a finite-difference scheme applied on the dielectric function obtained by solving the Bethe-Salpeter equation. Our results for the Raman susceptibility of silicon show stronger agreement with experimental data compared with previous theoretical studies. For the sampling of the Brillouin zone, a double-grid technique is proposed, resulting in a significant reduction in computational effort.

Bright and dark singlet excitons via linear and two-photon spectroscopy in monolayer transition metal dichalcogenides

DOE PAGES

Berkelbach, Timothy C.; Hybertsen, Mark S.; Reichmann, David R.

2015-08-10

We discuss the linear and two-photon spectroscopic selection rules for spin-singlet excitons in monolayer transition-metal dichalcogenides. Our microscopic formalism combines a fully k-dependent few-orbital band structure with a many-body Bethe-Salpeter equation treatment of the electron-hole interaction, using a model dielectric function. We show analytically and numerically that the single-particle, valley-dependent selection rules are preserved in the presence of excitonic effects. Furthermore, we definitively demonstrate that the bright (one-photon allowed) excitons have s-type azimuthal symmetry and that dark p-type excitons can be probed via two-photon spectroscopy. Thus, the screened Coulomb interaction in these materials substantially deviates from the 1/ε₀r form; thismore » breaks the “accidental” angular momentum degeneracy in the exciton spectrum, such that the 2p exciton has a lower energy than the 2s exciton by at least 50 meV. We compare our calculated two-photon absorption spectra to recent experimental measurements.« less

Resonant-Raman Intensities of N-layer Transition Metal Dichalcogenides from First Principles

NASA Astrophysics Data System (ADS)

Miranda, Henrique; Froehlicher, Guillaume; Lorchat, Ettienne; Fernique, François; Molina-Sánchez, Alejandro; Berciaud, Stéphane; Wirtz, Ludger

Transition metal dichalcogenides (TMDs) have interesting optical and electronic properties that make them good candidates for nano-engineering applications. Raman spectroscopy provides information about the vibrational modes and optical spectrum at the same time: when the laser energy is close to an electronic transition, the intensity is increased due to resonance. We investigate these effects combining different ab initio methods: we obtain ground-state and vibrational properties from density functional theory and the optical absorption spectrum using GW corrections and the Bethe-Salpeter equation to account for the excitonic effects which are known to play an important role in TMDs. Using a quasi-static finite differences approach, we calculate the dielectric susceptibility for different light polarizations and different phonon modes in order to determine the Raman tensor of TMDs, in particular of multi-layer and bulk MoTe2. We explain recent experimental results for the splitting of high-frequency modes and deviations from the non-resonant Raman model. We also give a brief outlook on possible improvements of the methodology.

Exciton dispersion in molecular solids

NASA Astrophysics Data System (ADS)

Cudazzo, Pierluigi; Sottile, Francesco; Rubio, Angel; Gatti, Matteo

2015-03-01

The investigation of the exciton dispersion (i.e. the exciton energy dependence as a function of the momentum carried by the electron-hole pair) is a powerful approach to identify the exciton character, ranging from the strongly localised Frenkel to the delocalised Wannier-Mott limiting cases. We illustrate this possibility at the example of four prototypical molecular solids (picene, pentacene, tetracene and coronene) on the basis of the parameter-free solution of the many-body Bethe-Salpeter equation. We discuss the mixing between Frenkel and charge-transfer excitons and the origin of their Davydov splitting in the framework of many-body perturbation theory and establish a link with model approaches based on molecular states. Finally, we show how the interplay between the electronic band dispersion and the exchange electron-hole interaction plays a fundamental role in setting the nature of the exciton. This analysis has a general validity holding also for other systems in which the electron wavefunctions are strongly localized, as in strongly correlated insulators.

Optical properties of single and bilayer arsenene phases

NASA Astrophysics Data System (ADS)

Kecik, Deniz; Ciraci, Salim; Durgun, Engin

An extensive investigation of the optical properties of single-layer buckled and washboard arsenene and their bilayers was performed, starting from layered three-dimensional (3D) crystalline phase of arsenic using density functional and many-body perturbation theories combined with Random Phase Approximation. Electron-hole interactions were taken into account by solving the Bethe-Salpeter equation, suggesting first bound exciton energies on the order of 0.7 eV. Thus, many-body effects were found to be crucial for altering the optical properties of arsenene. The light absorption of single layer and bilayer arsenene structures in general falls within the visible-ultraviolet (UV) spectral regime. Moreover, directional anisotropy, varying the number of layers and applying homogeneous or uniaxial in-plane tensile strain were found to modify the optical properties of two-dimensional (2D) arsenene phases, which could be useful for diverse photovoltaic and optoelectronic applications. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No 115F088.

Flavor dependence of the pion and kaon form factors and parton distribution functions

DOE PAGES

Hutauruk, Parada T. P.; Cloët, Ian C.; Thomas, Anthony W.

2016-09-01

The separate quark flavor contributions to the pion and kaon valence quark distribution functions are studied, along with the corresponding electromagnetic form factors in the space-like region. The calculations are made using the solution of the Bethe-Salpeter equation for the model of Nambu and Jona-Lasinio with proper-time regularization. Both the pion and kaon form factors and the valence quark distribution functions reproduce many features of the available empirical data. The larger mass of the strange quark naturally explains the empirical fact that the ratio u(K) + (x)/u(pi) + (x) drops below unity at large x, with a value of approximately Mmore » $$2\\atop{u}$$/Ms$$2\\atop{s}$$ as x → 1. With regard to the elastic form factors we report a large flavor dependence, with the u-quark contribution to the kaon form factor being an order of magnitude smaller than that of the s-quark at large Q 2, which may be a sensitive measure of confinement effects in QCD. Surprisingly though, the total K + and π + form factors differ by only 10%. Lastly, in general we find that flavor breaking effects are typically around 20%.« less

Nonequilibrium BN-ZnO: Optical properties and excitonic effects from first principles

NASA Astrophysics Data System (ADS)

Zhang, Xiao; Schleife, André

2018-03-01

The nonequilibrium boron nitride (BN) phase of zinc oxide (ZnO) has been reported for thin films and nanostructures, however, its properties are not well understood due to a persistent controversy that prevents reconciling experimental and first-principles results for its atomic coordinates. We use first-principles theoretical spectroscopy to accurately compute electronic and optical properties, including single-quasiparticle and excitonic effects: Band structures and densities of states are computed using density functional theory, hybrid functionals, and the G W approximation. Accurate optical absorption spectra and exciton binding energies are computed by solving the Bethe-Salpeter equation for the optical polarization function. Using this data we show that the band-gap difference between BN-ZnO and wurtzite (WZ) ZnO agrees very well with experiment when the theoretical lattice geometry is used, but significantly disagrees for the experimental atomic coordinates. We also show that the optical anisotropy of BN-ZnO differs significantly from that of WZ-ZnO, allowing us to optically distinguish both polymorphs. By using the transfer-matrix method to solve Maxwell's equations for thin films composed of both polymorphs, we illustrate that this opens up a promising route for tuning optical properties.

Flavor dependence of the pion and kaon form factors and parton distribution functions

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

Hutauruk, Parada T. P.; Cloët, Ian C.; Thomas, Anthony W.

The separate quark flavor contributions to the pion and kaon valence quark distribution functions are studied, along with the corresponding electromagnetic form factors in the space-like region. The calculations are made using the solution of the Bethe-Salpeter equation for the model of Nambu and Jona-Lasinio with proper-time regularization. Both the pion and kaon form factors and the valence quark distribution functions reproduce many features of the available empirical data. The larger mass of the strange quark naturally explains the empirical fact that the ratio u(K) + (x)/u(pi) + (x) drops below unity at large x, with a value of approximately Mmore » $$2\\atop{u}$$/Ms$$2\\atop{s}$$ as x → 1. With regard to the elastic form factors we report a large flavor dependence, with the u-quark contribution to the kaon form factor being an order of magnitude smaller than that of the s-quark at large Q 2, which may be a sensitive measure of confinement effects in QCD. Surprisingly though, the total K + and π + form factors differ by only 10%. Lastly, in general we find that flavor breaking effects are typically around 20%.« less

One-shot calculation of temperature-dependent optical spectra and phonon-induced band-gap renormalization

NASA Astrophysics Data System (ADS)

Zacharias, Marios; Giustino, Feliciano

2016-08-01

Recently, Zacharias et al. [Phys. Rev. Lett. 115, 177401 (2015), 10.1103/PhysRevLett.115.177401] developed an ab initio theory of temperature-dependent optical absorption spectra and band gaps in semiconductors and insulators. In that work, the zero-point renormalization and the temperature dependence were obtained by sampling the nuclear wave functions using a stochastic approach. In the present work, we show that the stochastic sampling of Zacharias et al. can be replaced by fully deterministic supercell calculations based on a single optimal configuration of the atomic positions. We demonstrate that a single calculation is able to capture the temperature-dependent band-gap renormalization including quantum nuclear effects in direct-gap and indirect-gap semiconductors, as well as phonon-assisted optical absorption in indirect-gap semiconductors. In order to demonstrate this methodology, we calculate from first principles the temperature-dependent optical absorption spectra and the renormalization of direct and indirect band gaps in silicon, diamond, and gallium arsenide, and we obtain good agreement with experiment and with previous calculations. In this work we also establish the formal connection between the Williams-Lax theory of optical transitions and the related theories of indirect absorption by Hall, Bardeen, and Blatt, and of temperature-dependent band structures by Allen and Heine. The present methodology enables systematic ab initio calculations of optical absorption spectra at finite temperature, including both direct and indirect transitions. This feature will be useful for high-throughput calculations of optical properties at finite temperature and for calculating temperature-dependent optical properties using high-level theories such as G W and Bethe-Salpeter approaches.

Nuclear force from lattice QCD.

PubMed

Ishii, N; Aoki, S; Hatsuda, T

2007-07-13

The nucleon-nucleon (NN) potential is studied by lattice QCD simulations in the quenched approximation, using the plaquette gauge action and the Wilson quark action on a 32(4) [approximately (4.4 fm)(4)] lattice. A NN potential V(NN)(r) is defined from the equal-time Bethe-Salpeter amplitude with a local interpolating operator for the nucleon. By studying the NN interaction in the (1)S(0) and (3)S(1) channels, we show that the central part of V(NN)(r) has a strong repulsive core of a few hundred MeV at short distances (r approximately < 0.5 fm) surrounded by an attractive well at medium and long distances. These features are consistent with the known phenomenological features of the nuclear force.

Quasiparticle and optical properties of strained stanene and stanane.

PubMed

Lu, Pengfei; Wu, Liyuan; Yang, Chuanghua; Liang, Dan; Quhe, Ruge; Guan, Pengfei; Wang, Shumin

2017-06-20

Quasiparticle band structures and optical properties of two dimensional stanene and stanane (fully hydrogenated stanene) are studied by the GW and GW plus Bethe-Salpeter equation (GW-BSE) approaches, with inclusion of the spin-orbit coupling (SOC). The SOC effect is significant for the electronic and optical properties in both stanene and stanane, compared with their group IV-enes and IV-anes counterparts. Stanene is a semiconductor with a quasiparticle band gap of 0.10 eV. Stanane has a sizable band gap of 1.63 eV and strongly binding exciton with binding energy of 0.10 eV. Under strain, the quasiparticle band gap and optical spectrum of both stanene and stanane are tunable.

Effect of oxygen vacancies on the electronic and optical properties of tungsten oxide from first principles calculations

NASA Astrophysics Data System (ADS)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.; Ramana, Chintalapalle V.

2016-12-01

In this work, we investigated theoretically the role of oxygen vacancies on the electronic and optical properties of cubic, γ-monoclinic, and tetragonal phases of tungsten oxide (WO3) thin films. Following the examination of structural properties and stability of the bulk tungsten oxide polymorphs, we analyzed band structures and optical properties, applying density functional theory (DFT) and GW (Green's (G) function approximation with screened Coulomb interaction (W)) methods. Careful benchmarking of calculated band gaps demonstrated the importance of using a range-separated functional, where results for the pristine room temperature γ-monoclinic structure indicated agreement with experiment. Further, modulation of the band gap for WO3 structures with oxygen vacancies was quantified. Dielectric functions for cubic WO3, calculated at both the single-particle, essentially time-dependent DFT, as well as many-body GW-Bethe-Salpeter equation levels, indicated agreement with experimental data for pristine WO3. Interestingly, we found that introducing oxygen vacancies caused appearance of lower energy absorptions. A smaller refractive index was indicated in the defective WO3 structures. These predictions could lead to further experiments aimed at tuning the optical properties of WO3 by introducing oxygen vacancies, particularly for the lower energy spectral region.

Excitons and Davydov splitting in sexithiophene from first-principles many-body Green's function theory

NASA Astrophysics Data System (ADS)

Leng, Xia; Yin, Huabing; Liang, Dongmei; Ma, Yuchen

2015-09-01

Organic semiconductors have promising and broad applications in optoelectronics. Understanding their electronic excited states is important to help us control their spectroscopic properties and performance of devices. There have been a large amount of experimental investigations on spectroscopies of organic semiconductors, but theoretical calculation from first principles on this respect is still limited. Here, we use density functional theory (DFT) and many-body Green's function theory, which includes the GW method and Bethe-Salpeter equation, to study the electronic excited-state properties and spectroscopies of one prototypical organic semiconductor, sexithiophene. The exciton energies of sexithiophene in both the gas and bulk crystalline phases are very sensitive to the exchange-correlation functionals used in DFT for ground-state structure relaxation. We investigated the influence of dynamical screening in the electron-hole interaction on exciton energies, which is found to be very pronounced for triplet excitons and has to be taken into account in first principles calculations. In the sexithiophene single crystal, the energy of the lowest triplet exciton is close to half the energy of the lowest singlet one. While lower-energy singlet and triplet excitons are intramolecular Frenkel excitons, higher-energy excitons are of intermolecular charge-transfer type. The calculated optical absorption spectra and Davydov splitting are in good agreement with experiments.

Optical response of the sodium alanate system: GW0-BSE calculations and thin film measurements

NASA Astrophysics Data System (ADS)

van Setten, M. J.; Gremaud, R.; Brocks, G.; Dam, B.; Kresse, G.; de Wijs, G. A.

2011-01-01

We calculate from first principles the optical spectra of the hydrides in the sodium alanate hydrogen storage system: NaH, NaAlH4, and Na3AlH6. In particular we study the effects of systematic improvements of the theoretical description. To benchmark the calculations we also measure the optical response of a thin film of NaH. The simplest calculated dielectric functions are based upon independent electrons and holes, whose spectrum is obtained at the G0W0 level. Successive improvements consist of including partial self-consistency (so-called GW0) and account for excitonic effects, using the Bethe-Salpeter equation (BSE). Each improvement gives a sizable blue shift or red shift of the dielectric functions, but conserves the trend in the optical gap among different materials. Whereas these shifts partially cancel at the highest (GW0-BSE) level of approximation, the shape of the dielectric functions is strongly modified by excitonic effects. Calculations at the GW0-BSE level give a good agreement with the dielectric function of NaH extracted from the measurements. It demonstrates that the approach can be used for a quantitative interpretation of spectra in novel hydrogen storage materials obtained via, e.g., hydrogenography.

From Bethe–Salpeter Wave functions to Generalised Parton Distributions

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

Mezrag, C.; Moutarde, H.; Rodríguez-Quintero, J.

2016-06-06

We review recent works on the modelling of Generalised Parton Distributions within the Dyson-Schwinger formalism. We highlight how covariant computations, using the impulse approximation, allows one to fulfil most of the theoretical constraints of the GPDs. A specific attention is brought to chiral properties and especially the so-called soft pion theorem, and its link with the Axial-Vector Ward-Takahashi identity. The limitation of the impulse approximation are also explained. Beyond impulse approximation computations are reviewed in the forward case. Finally, we stress the advantages of the overlap of lightcone wave functions, and possible ways to construct covariant GPD models within thismore » framework, in a two-body approximation« less

Neutral and charged excitations in carbon fullerenes from first-principles many-body theories

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

Tiago, Murilo L; Kent, Paul R; Hood, Randolph Q.

2008-01-01

We use first-principles many-body theories to investigate the low energy excitations of the carbon fullerenes C_20, C_24, C_50, C_60, C_70, and C_80. Properties are calculated via the GW-Bethe-Salpeter Equation (GW-BSE) and diffusion Quantum Monte Carlo (QMC) methods. At a lower level of theoretical complexity, we also calculate these properties using static and time-dependent density-functional theory. We critically compare these theories and assess their accuracy against available experimental data. The first ionization potentials are consistently well reproduced and are similar for all the fullerenes and methods studied. The electron affinities and first triplet excitation energies show substantial method and geometry dependence.more » Compared to available experiment, GW-BSE underestimates excitation energies by approximately 0.3 eV while QMC overestimates them by approximately 0.5 eV. We show the GW-BSE errors result primarily from a systematic overestimation of the electron affinities, while the QMC errors likely result from nodal error in both ground and excited state calculations.« less

Chiral symmetry and π - π scattering in the Covariant Spectator Theory

DOE PAGES

Biernat, Elmar P.; Peña, M. T.; Ribeiro, J. E.; ...

2014-11-14

The π-π scattering amplitude calculated with a model for the quark-antiquark interaction in the framework of the Covariant Spectator Theory (CST) is shown to satisfy the Adler zero constraint imposed by chiral symmetry. The CST formalism is established in Minkowski space and our calculations are performed in momentum space. We prove that the axial-vector Ward-Takahashi identity is satisfied by our model. Then we show that, similarly to what happens within the Bethe-Salpeter formalism, application of the axial-vector Ward Takahashi identity to the CST π-π scattering amplitude allows us to sum the intermediate quark-quark interactions to all orders. Thus, the Adlermore » self-consistency zero for π-π scattering in the chiral limit emerges as the result for this sum.« less

Matrix algorithms for solving (in)homogeneous bound state equations

PubMed Central

Blank, M.; Krassnigg, A.

2011-01-01

In the functional approach to quantum chromodynamics, the properties of hadronic bound states are accessible via covariant integral equations, e.g. the Bethe–Salpeter equation for mesons. In particular, one has to deal with linear, homogeneous integral equations which, in sophisticated model setups, use numerical representations of the solutions of other integral equations as part of their input. Analogously, inhomogeneous equations can be constructed to obtain off-shell information in addition to bound-state masses and other properties obtained from the covariant analogue to a wave function of the bound state. These can be solved very efficiently using well-known matrix algorithms for eigenvalues (in the homogeneous case) and the solution of linear systems (in the inhomogeneous case). We demonstrate this by solving the homogeneous and inhomogeneous Bethe–Salpeter equations and find, e.g. that for the calculation of the mass spectrum it is as efficient or even advantageous to use the inhomogeneous equation as compared to the homogeneous. This is valuable insight, in particular for the study of baryons in a three-quark setup and more involved systems. PMID:21760640

Quantum many-body effects in x-ray spectra efficiently computed using a basic graph algorithm

NASA Astrophysics Data System (ADS)

Liang, Yufeng; Prendergast, David

2018-05-01

The growing interest in using x-ray spectroscopy for refined materials characterization calls for an accurate electronic-structure theory to interpret the x-ray near-edge fine structure. In this work, we propose an efficient and unified framework to describe all the many-electron processes in a Fermi liquid after a sudden perturbation (such as a core hole). This problem has been visited by the Mahan-Noziéres-De Dominicis (MND) theory, but it is intractable to implement various Feynman diagrams within first-principles calculations. Here, we adopt a nondiagrammatic approach and treat all the many-electron processes in the MND theory on an equal footing. Starting from a recently introduced determinant formalism [Phys. Rev. Lett. 118, 096402 (2017), 10.1103/PhysRevLett.118.096402], we exploit the linear dependence of determinants describing different final states involved in the spectral calculations. An elementary graph algorithm, breadth-first search, can be used to quickly identify the important determinants for shaping the spectrum, which avoids the need to evaluate a great number of vanishingly small terms. This search algorithm is performed over the tree-structure of the many-body expansion, which mimics a path-finding process. We demonstrate that the determinantal approach is computationally inexpensive even for obtaining x-ray spectra of extended systems. Using Kohn-Sham orbitals from two self-consistent fields (ground and core-excited state) as input for constructing the determinants, the calculated x-ray spectra for a number of transition metal oxides are in good agreement with experiments. Many-electron aspects beyond the Bethe-Salpeter equation, as captured by this approach, are also discussed, such as shakeup excitations and many-body wave function overlap considered in Anderson's orthogonality catastrophe.

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

DOE PAGES

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime; ...

2016-08-15

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Excitation spectra of aromatic molecules within a real-space G W -BSE formalism: Role of self-consistency and vertex corrections

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

Hung, Linda; da Jornada, Felipe H.; Souto-Casares, Jaime

Here, we present first-principles calculations on the vertical ionization potentials (IPs), electron affinities (EAs), and singlet excitation energies on an aromatic-molecule test set (benzene, thiophene, 1,2,5-thiadiazole, naphthalene, benzothiazole, and tetrathiafulvalene) within the GW and Bethe-Salpeter equation (BSE) formalisms. Our computational framework, which employs a real-space basis for ground-state and a transition-space basis for excited-state calculations, is well suited for high-accuracy calculations on molecules, as we show by comparing against G0W0 calculations within a plane-wave-basis formalism. We then generalize our framework to test variants of the GW approximation that include a local density approximation (LDA)–derived vertex function (Γ LDA ) andmore » quasiparticle-self-consistent (QS) iterations. We find that Γ LDA and quasiparticle self-consistency shift IPs and EAs by roughly the same magnitude, but with opposite sign for IPs and the same sign for EAs. G0W0 and QS GWΓ LDA are more accurate for IPs, while G 0W 0Γ LDA and QS GW are best for EAs. For optical excitations, we find that perturbative GW-BSE underestimates the singlet excitation energy, while self-consistent GW-BSE results in good agreement with previous best-estimate values for both valence and Rydberg excitations. Finally, our work suggests that a hybrid approach, in which G0W0 energies are used for occupied orbitals and G0W0Γ LDA for unoccupied orbitals, also yields optical excitation energies in good agreement with experiment but at a smaller computational cost.« less

Benchmarking the Bethe–Salpeter Formalism on a Standard Organic Molecular Set

PubMed Central

2015-01-01

We perform benchmark calculations of the Bethe–Salpeter vertical excitation energies for the set of 28 molecules constituting the well-known Thiel’s set, complemented by a series of small molecules representative of the dye chemistry field. We show that Bethe–Salpeter calculations based on a molecular orbital energy spectrum obtained with non-self-consistent G0W0 calculations starting from semilocal DFT functionals dramatically underestimate the transition energies. Starting from the popular PBE0 hybrid functional significantly improves the results even though this leads to an average −0.59 eV redshift compared to reference calculations for Thiel’s set. It is shown, however, that a simple self-consistent scheme at the GW level, with an update of the quasiparticle energies, not only leads to a much better agreement with reference values, but also significantly reduces the impact of the starting DFT functional. On average, the Bethe–Salpeter scheme based on self-consistent GW calculations comes close to the best time-dependent DFT calculations with the PBE0 functional with a 0.98 correlation coefficient and a 0.18 (0.25) eV mean absolute deviation compared to TD-PBE0 (theoretical best estimates) with a tendency to be red-shifted. We also observe that TD-DFT and the standard adiabatic Bethe–Salpeter implementation may differ significantly for states implying a large multiple excitation character. PMID:26207104

Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors

NASA Astrophysics Data System (ADS)

Cho, Yeongsu; Berkelbach, Timothy C.

2018-01-01

We present an electrostatic theory of band-gap renormalization in atomically thin semiconductors that captures the strong sensitivity to the surrounding dielectric environment. In particular, our theory aims to correct known band gaps, such as that of the three-dimensional bulk crystal. Combining our quasiparticle band gaps with an effective-mass theory of excitons yields environmentally sensitive optical gaps as would be observed in absorption or photoluminescence. For an isolated monolayer of MoS2, the presented theory is in good agreement with ab initio results based on the G W approximation and the Bethe-Salpeter equation. We find that changes in the electronic band gap are almost exactly offset by changes in the exciton binding energy such that the energy of the first optical transition is nearly independent of the electrostatic environment, rationalizing experimental observations.

Mass spectrum and decay constants of radially excited vector mesons

NASA Astrophysics Data System (ADS)

Mojica, Fredy F.; Vera, Carlos E.; Rojas, Eduardo; El-Bennich, Bruno

2017-07-01

We calculate the masses and weak decay constants of flavorless and flavored ground and radially excited JP=1- mesons within a Poincaré covariant continuum framework based on the Bethe-Salpeter equation. We use in both the quark's gap equation and the meson bound-state equation an infrared massive and finite interaction in the leading symmetry-preserving truncation. While our numerical results are in rather good agreement with experimental values where they are available, no single parametrization of the QCD inspired interaction reproduces simultaneously the ground and excited mass spectrum, which confirms earlier work on pseudoscalar mesons. This feature being a consequence of the lowest truncation, we pin down the range and strength of the interaction in both cases to identify common qualitative features that may help to tune future interaction models beyond the rainbow-ladder approximation.

Nonperturbative dynamics of scalar field theories through the Feynman-Schwinger representation

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

Cetin Savkli; Franz Gross; John Tjon

2004-04-01

In this paper we present a summary of results obtained for scalar field theories using the Feynman-Schwinger (FSR) approach. Specifically, scalar QED and {chi}{sup 2}{phi} theories are considered. The motivation behind the applications discussed in this paper is to use the FSR method as a rigorous tool for testing the quality of commonly used approximations in field theory. Exact calculations in a quenched theory are presented for one-, two-, and three-body bound states. Results obtained indicate that some of the commonly used approximations, such as Bethe-Salpeter ladder summation for bound states and the rainbow summation for one body problems, producemore » significantly different results from those obtained from the FSR approach. We find that more accurate results can be obtained using other, simpler, approximation schemes.« less

Excitons in molecular crystals from first-principles many-body perturbation theory: Picene versus pentacene

NASA Astrophysics Data System (ADS)

Cudazzo, Pierluigi; Gatti, Matteo; Rubio, Angel

2012-11-01

By solving the first-principles many-body Bethe-Salpeter equation, we compare the optical properties of two prototype and technological relevant organic molecular crystals: picene and pentacene. Albeit very similar for the structural and electronic properties, picene and pentacene show remarkable differences in their optical spectra. While for pentacene the absorption onset is due to a charge-transfer exciton, in picene it is related to a strongly localized Frenkel exciton. The detailed comparison between the two materials allows us to discuss, on general grounds, how the interplay between the electronic band dispersion and the exchange electron-hole interaction plays a fundamental role in setting the nature of the exciton. It represents a clear example of the relevance of the competition between localization and delocalization in the description of two-particle electronic correlation.

Three-body Coulomb problem probed by mapping the Bethe surface in ionizing ion-atom collisions.

PubMed

Moshammer, R; Perumal, A; Schulz, M; Rodríguez, V D; Kollmus, H; Mann, R; Hagmann, S; Ullrich, J

2001-11-26

The three-body Coulomb problem has been explored in kinematically complete experiments on single ionization of helium by 100 MeV/u C(6+) and 3.6 MeV/u Au(53+) impact. Low-energy electron emission ( E(e)<150 eV) as a function of the projectile deflection theta(p) (momentum transfer), i.e., the Bethe surface [15], has been mapped with Delta theta(p)+/-25 nanoradian resolution at extremely large perturbations ( 3.6 MeV/u Au(53+)) where single ionization occurs at impact parameters of typically 10 times the He K-shell radius. The experimental data are not in agreement with state-of-the-art continuum distorted wave-eikonal initial state theory.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Vlijm, R.; Ganahl, M.; Fioretto, D.; Brockmann, M.; Haque, M.; Evertz, H. G.; Caux, J.-S.

2015-12-01

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time-evolution fits on the displacements. The time-evolved block decimation algorithm allows for the study of scattering displacements from spin-block states, showing similar scattering displacement features.

Quasi-soliton scattering in quantum spin chains

NASA Astrophysics Data System (ADS)

Fioretto, Davide; Vljim, Rogier; Ganahl, Martin; Brockmann, Michael; Haque, Masud; Evertz, Hans-Gerd; Caux, Jean-Sébastien

The quantum scattering of magnon bound states in the anisotropic Heisenberg spin chain is shown to display features similar to the scattering of solitons in classical exactly solvable models. Localized colliding Gaussian wave packets of bound magnons are constructed from string solutions of the Bethe equations and subsequently evolved in time, relying on an algebraic Bethe ansatz based framework for the computation of local expectation values in real space-time. The local magnetization profile shows the trajectories of colliding wave packets of bound magnons, which obtain a spatial displacement upon scattering. Analytic predictions on the displacements for various values of anisotropy and string lengths are derived from scattering theory and Bethe ansatz phase shifts, matching time evolution fits on the displacements. The TEBD algorithm allows for the study of scattering displacements from spin-block states, showing similar displacement scattering features.

Temperature dependence of Ti 1s near-edge spectra in Ti-based perovskites: theory and experiment

NASA Astrophysics Data System (ADS)

Shirley, Eric; Cockayne, Eric; Ravel, Bruce; Woicik, Joseph

Ti 1s near-edge spectra (around 4970 eV) in SrTiO3 and PbTiO3 reveal electric-dipole and quadrupole transitions to Ti 3d, 4p and mixed 3d-4p states. Crystal field-split pre-edge features attributed to 1s ->3d transitions are small compared to the main edge jump at the onset of the Ti 4s/4p continuum. Pre-edge and subsequent near-edge features are predicted to be weaker than what is observed, unless one accounts for ferroelectric polarization in PbTiO3 and thermal motion in both compounds. Using density-functional theory molecular dynamics simulations at various temperatures (including sampling two phases of PbTiO3), we capture the statistically averaged root-mean-square deviations of Ti4+ ions from the centers of their oxygen cages. By sampling appropriate snapshots of atomic configurations and averaging Ti 1s absorption spectra computed within a Bethe-Salpeter Equation framework, we obtain absorption spectra that agree well with experiment, including details related to ferroelectric polarization, phase transitions, and fluctuations of atomic coordinates.

Optical conductivity calculation of a k.p model semiconductor GaAs incorporating first-order electron-hole vertex correction

NASA Astrophysics Data System (ADS)

Nurhuda, Maryam; Aziz Majidi, Muhammad

2018-04-01

The role of excitons in semiconducting materials carries potential applications. Experimental results show that excitonic signals also appear in optical absorption spectra of semiconductor system with narrow gap, such as Gallium Arsenide (GaAs). While on the theoretical side, calculation of optical spectra based purely on Density Functional Theory (DFT) without taking electron-hole (e-h) interactions into account does not lead to the appearance of any excitonic signal. Meanwhile, existing DFT-based algorithms that include a full vertex correction through Bethe-Salpeter equation may reveal an excitonic signal, but the algorithm has not provided a way to analyze the excitonic signal further. Motivated to provide a way to isolate the excitonic effect in the optical response theoretically, we develop a method of calculation for the optical conductivity of a narrow band-gap semiconductor GaAs within the 8-band k.p model that includes electron-hole interactions through first-order electron-hole vertex correction. Our calculation confirms that the first-order e-h vertex correction reveals excitonic signal around 1.5 eV (the band gap edge), consistent with the experimental data.

Many-body Effect, Carrier Mobility, and Device Performance of Hexagonal Arsenene and Antimonene

NASA Astrophysics Data System (ADS)

Wang, Yangyang; Ye, Meng; Quhe, Ruge; Huang, Pu; Lu, Jing

Monolayer (ML) arsenene and antimonene, as new members of group V-enes, have attracted great interest. Experimentally, multilayer arsenene/antimonene nanoribbons have been fabricated on an InAs/InSb substrate. ML and multilayer antimonene have been isolated by mechanical exfoliation and liquid-phase exfoliation. More importantly, they are highly stable under ambient condition. Together with their wide band gaps predicted by the HSE theory, arsenene and antimonene are very attractive for nanoscale optoelectronic and electronic devices. We investigate the many-body effect and device performance of ML hexagonal arsenene and antimonene using ab initio GW, GW plus Bethe-Salpeter equation and nonequilibrium Green's function approach. The quasi-particle and optical band gaps are calculated in ML arsenene and antimonene for the first time. Low (21/66 cm2/V .s for electron/hole) and moderate carrier mobilities (150/510 cm2/V .s for electron/hole) are obtained, for arsenene and antimonene, respectively. Quantum transport simulation reveals that the performance limits of sub-10 nm ML arsenene and antimonene FETs can satisfy both low power and high performance requirements of the ITRS target in the next decade. National Natural Science Foundation of China (No. 11274016/11474012/11674005/11274233).

Prediction of direct band gap silicon superlattices with dipole-allowed optical transition

NASA Astrophysics Data System (ADS)

Kim, Sunghyun; Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Chang, K. J.

While cubic diamond silicon (c-Si) is an important element in electronic devices, it has poor optical properties owing to its indirect gap nature, thereby limiting its applications to optoelectronic devices. Here, we report Si superlattice structures which are computationally designed to possess direct band gaps and excellent optical properties. The computational approach adopts density functional calculations and conformational space annealing for global optimization. The Si superlattices, which consist of alternating stacks of Si(111) layers and a defective layer with Seiwatz chains, have either direct or quasi-direct band gaps depending on the details of attacking layers. The photovoltaic efficiencies are calculated by solving Bethe-Salpeter equation together with quasiparticle G0W0 calculations. The strong direct optical transition is attributed to the overlap of the valence and conduction band edge states in the interface region. Our Si superlattices exhibit high thermal stability, with the energies lower by an order of magnitude than those of the previously reported Si allotropes. We discuss a possible route to the synthesis of the superlattices through wafer bonding. This work is supported by Samsung Science and Technology Foundation under Grant No. SSTF-BA1401-08.

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

NASA Astrophysics Data System (ADS)

Mehmood, Faisal; Pachter, Ruth; Murphy, Neil R.; Johnson, Walter E.

2015-11-01

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green's (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G0W0, GW0 to partially self-consistent sc-GW0, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW0-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.

Final Technical Report for DE-SC0001878 [Theory and Simulation of Defects in Oxide Materials

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

Chelikowsky, James R.

2014-04-14

We explored a wide variety of oxide materials and related problems, including materials at the nanoscale and generic problems associated with oxide materials such as the development of more efficient computational tools to examine these materials. We developed and implemented methods to understand the optical and structural properties of oxides. For ground state properties, our work is predominantly based on pseudopotentials and density functional theory (DFT), including new functionals and going beyond the local density approximation (LDA): LDA+U. To study excited state properties (quasiparticle and optical excitations), we use time dependent density functional theory, the GW approach, and GW plusmore » Bethe-Salpeter equation (GW-BSE) methods based on a many-body Green function approaches. Our work focused on the structural, electronic, optical and magnetic properties of defects (such as oxygen vacancies) in hafnium oxide, titanium oxide (both bulk and clusters) and related materials. We calculated the quasiparticle defect states and charge transition levels of oxygen vacancies in monoclinic hafnia. we presented a milestone G0W0 study of two of the crystalline phases of dye-sensitized TiO{sub 2} clusters. We employed hybrid density functional theory to examine the electronic structure of sexithiophene/ZnO interfaces. To identify the possible effect of epitaxial strain on stabilization of the ferromagnetic state of LaCoO{sub 3} (LCO), we compare the total energy of the magnetic and nonmagnetic states of the strained theoretical bulk structure.« less

An Application of Gröbner Basis in Differential Equations of Physics

NASA Astrophysics Data System (ADS)

Chaharbashloo, Mohammad Saleh; Basiri, Abdolali; Rahmany, Sajjad; Zarrinkamar, Saber

2013-11-01

We apply the Gröbner basis to the ansatz method in quantum mechanics to obtain the energy eigenvalues and the wave functions in a very simple manner. There are important physical potentials such as the Cornell interaction which play significant roles in particle physics and can be treated via this technique. As a typical example, the algorithm is applied to the semi-relativistic spinless Salpeter equation under the Cornell interaction. Many other applications of the idea in a wide range of physical fields are listed as well.

BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures

NASA Astrophysics Data System (ADS)

Deslippe, Jack; Samsonidze, Georgy; Strubbe, David A.; Jain, Manish; Cohen, Marvin L.; Louie, Steven G.

2012-06-01

BerkeleyGW is a massively parallel computational package for electron excited-state properties that is based on the many-body perturbation theory employing the ab initio GW and GW plus Bethe-Salpeter equation methodology. It can be used in conjunction with many density-functional theory codes for ground-state properties, including PARATEC, PARSEC, Quantum ESPRESSO, SIESTA, and Octopus. The package can be used to compute the electronic and optical properties of a wide variety of material systems from bulk semiconductors and metals to nanostructured materials and molecules. The package scales to 10 000s of CPUs and can be used to study systems containing up to 100s of atoms. Program summaryProgram title: BerkeleyGW Catalogue identifier: AELG_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AELG_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Open source BSD License. See code for licensing details. No. of lines in distributed program, including test data, etc.: 576 540 No. of bytes in distributed program, including test data, etc.: 110 608 809 Distribution format: tar.gz Programming language: Fortran 90, C, C++, Python, Perl, BASH Computer: Linux/UNIX workstations or clusters Operating system: Tested on a variety of Linux distributions in parallel and serial as well as AIX and Mac OSX RAM: (50-2000) MB per CPU (Highly dependent on system size) Classification: 7.2, 7.3, 16.2, 18 External routines: BLAS, LAPACK, FFTW, ScaLAPACK (optional), MPI (optional). All available under open-source licenses. Nature of problem: The excited state properties of materials involve the addition or subtraction of electrons as well as the optical excitations of electron-hole pairs. The excited particles interact strongly with other electrons in a material system. This interaction affects the electronic energies, wavefunctions and lifetimes. It is well known that ground-state theories, such as standard methods based on density-functional theory, fail to correctly capture this physics. Solution method: We construct and solve the Dyson's equation for the quasiparticle energies and wavefunctions within the GW approximation for the electron self-energy. We additionally construct and solve the Bethe-Salpeter equation for the correlated electron-hole (exciton) wavefunctions and excitation energies. Restrictions: The material size is limited in practice by the computational resources available. Materials with up to 500 atoms per periodic cell can be studied on large HPCs. Additional comments: The distribution file for this program is approximately 110 Mbytes and therefore is not delivered directly when download or E-mail is requested. Instead a html file giving details of how the program can be obtained is sent. Running time: 1-1000 minutes (depending greatly on system size and processor number).

Quantitative evaluation of first-order retardation corrections to the quarkonium spectrum

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

Brambilla, N.; Prosperi, G.M.

1992-08-01

We evaluate numerically first-order retardation corrections for some charmonium and bottomonium masses under the usual assumption of a Bethe-Salpeter purely scalar confinement kernel. The result depends strictly on the use of an additional effective potential to express the corrections (rather than to resort to Kato perturbation theory) and on an appropriate regularization prescription. The kernel has been chosen in order to reproduce in the instantaneous approximation a semirelativistic potential suggested by the Wilson loop method. The calculations are performed for two sets of parameters determined by fits in potential theory. The corrections turn out to be typically of the ordermore » of a few hundred MeV and depend on an additional scale parameter introduced in the regularization. A conjecture existing in the literature on the origin of the constant term in the potential is also discussed.« less

RIXS of Ammonium Nitrate using OCEAN

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Mueller, Matthias; Unterumsberger, Rainer; Beckhoff, Burkhard

The ocean code allows for calculations of near-edge x-ray spectroscopies using a GW/Bethe-Salpeter equation (BSE) approach. Here we present an extension of the code for calculating resonant inelastic x-ray scattering (RIXS). Recent work has shown that peak-specific broadening of nitrogen K α emission in nitrates is due to a valence-band lifetime that is an order of magnitude shorter than that of the nitrogen 1s hole, an inversion of the usual assumption that valence holes have longer lifetimes than core-level holes. Using the BSE, including GW corrections to the DFT energies, as implemented in ocean we are able to compare calculations of RIXS with measured spectra of the same. By utilizing an approach free from fitting parameters we are able to identify the origins of various broadening effects observed in experiment.

Excitonic structure of the optical conductivity in MoS2 monolayers

NASA Astrophysics Data System (ADS)

Ridolfi, Emilia; Lewenkopf, Caio H.; Pereira, Vitor M.

2018-05-01

We investigate the excitonic spectrum of MoS2 monolayers and calculate its optical absorption properties over a wide range of energies. Our approach takes into account the anomalous screening in two dimensions and the presence of a substrate, both cast by a suitable effective Keldysh potential. We solve the Bethe-Salpeter equation using as a basis a Slater-Koster tight-binding model parameterized to fit the ab initio MoS2 band structure calculations. The resulting optical conductivity is in good quantitative agreement with existing measurements up to ultraviolet energies. We establish that the electronic contributions to the C excitons arise not from states at the Γ point, but from a set of k points over extended portions of the Brillouin zone. Our results reinforce the advantages of approaches based on effective models to expeditiously explore the properties and tunability of excitons in TMD systems.

Strong excitonic interactions in the oxygen K-edge of perovskite oxides.

PubMed

Tomita, Kota; Miyata, Tomohiro; Olovsson, Weine; Mizoguchi, Teruyasu

2017-07-01

Excitonic interactions of the oxygen K-edge electron energy-loss near-edge structure (ELNES) of perovskite oxides, CaTiO 3 , SrTiO 3 , and BaTiO 3 , together with reference oxides, MgO, CaO, SrO, BaO, and TiO 2 , were investigated using a first-principles Bethe-Salpeter equation calculation. Although the transition energy of oxygen K-edge is high, strong excitonic interactions were present in the oxygen K-edge ELNES of the perovskite oxides, whereas the excitonic interactions were negligible in the oxygen K-edge ELNES of the reference compounds. Detailed investigation of the electronic structure suggests that the strong excitonic interaction in the oxygen K-edge ELNES of the perovskite oxides is caused by the directionally confined, low-dimensional electronic structure at the Ti-O-Ti bonds. Copyright © 2016 Elsevier B.V. All rights reserved.

Defect properties of Sn- and Ge-doped ZnTe: suitability for intermediate-band solar cells

NASA Astrophysics Data System (ADS)

Flores, Mauricio A.

2018-01-01

We investigate the electronic structure and defect properties of Sn- and Ge- doped ZnTe by first-principles calculations within the DFT+GW formalism. We find that ({{{Sn}}}{{Zn}}) and ({{{Ge}}}{{Zn}}) introduce isolated energy levels deep in the band gap of ZnTe, derived from Sn-5s and Ge-4s states, respectively. Moreover, the incorporation of Sn and Ge on the Zn site is favored in p-type ZnTe, in both Zn-rich and Te-rich environments. The optical absorption spectra obtained by solving the Bethe-Salpeter equation reveals that sub-bandgap absorptance is greatly enhanced due to the formation of the intermediate band. Our results suggest that Sn- and Ge-doped ZnTe would be a suitable material for the development of intermediate-band solar cells, which have the potential to achieve efficiencies beyond the single-junction limit.

Understanding Singlet and Triplet Excitons in Acene Crystals from First Principles

NASA Astrophysics Data System (ADS)

Rangel Gordillo, Tonatiuh; Sharifzadeh, Sahar; Kronik, Leeor; Neaton, Jeffrey

2014-03-01

Singlet fission, a process in which two triplet excitons are formed from a singlet exciton, has the potential to increase the solar cell efficiencies above 100%. Efficient singlet fission has been reported in larger acene crystals, such as tetracene and pentacene, in part attributable to their low-lying triplet energies. In this work, we use many-body perturbation theory within the GW approximation and the Bethe-Salpeter equation approach to compute quasiparticle gaps, low-lying singlet and and triplet excitations, and optical absorption spectra across the entire acene family of crystals, from benzene to hexacene. We closely examine the degree of localization and charge-transfer character of the low-lying singlets and triplets, and their sensitivity to crystal environment, and discuss implications for the efficiency of singlet fission in this systems. This work supported by DOE and computational resources provided by NERSC.

Theory of Raman scattering in coupled electron-phonon systems

NASA Astrophysics Data System (ADS)

Itai, K.

1992-01-01

The Raman spectrum is calculated for a coupled conduction-electron-phonon system in the zero-momentum-transfer limit. The Raman scattering is due to electron-hole excitations and phonons as well. The phonons of those branches that contribute to the electron self-energy and the correction of the electron-phonon vertex are assumed to have flat energy dispersion (the Einstein phonons). The effect of electron-impurity scattering is also incorporated. Both the electron-phonon interaction and the electron-impurity interaction cause the fluctuation of the electron distribution between different parts of the Fermi surface, which results in overdamped zero-sound modes of various symmetries. The scattering cross section is obtained by solving the Bethe-Salpeter equation. The spectrum shows a lower threshold at the smallest Einstein phonon energy when only the electron-phonon interaction is taken into consideration. When impurities are also taken into consideration, the threshold disappears.

Many-body effects and excitonic features in 2D biphenylene carbon

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

Lüder, Johann, E-mail: johann.luder@physics.uu.se; Puglia, Carla; Eriksson, Olle

2016-01-14

The remarkable excitonic effects in low dimensional materials in connection to large binding energies of excitons are of great importance for research and technological applications such as in solar energy and quantum information processing as well as for fundamental investigations. In this study, the unique electronic and excitonic properties of the two dimensional carbon network biphenylene carbon were investigated with GW approach and the Bethe-Salpeter equation accounting for electron correlation effects and electron-hole interactions, respectively. Biphenylene carbon exhibits characteristic features including bright and dark excitons populating the optical gap of 0.52 eV and exciton binding energies of 530 meV asmore » well as a technologically relevant intrinsic band gap of 1.05 eV. Biphenylene carbon’s excitonic features, possibly tuned, suggest possible applications in the field of solar energy and quantum information technology in the future.« less

Tunable optical and excitonic properties of phosphorene via oxidation

NASA Astrophysics Data System (ADS)

Sadki, S.; Drissi, L. B.

2018-06-01

The optical properties and excitonic wave function of phosphorene oxides (PO) are studied using the first principle many-body Green function and the Bethe–Salpeter equation formalism. In this work, the optical properties are determined using ab initio calculations of the dielectric function. At the long wavelength limit q of EM wave (i.e. ), the dielectric function, the absorption spectrum, the lectivity, the electron energy loss spectra (EELS) and the wave function are calculated. The results show an excitonic binding energy of 818 meV with a bright exciton located in the armchair direction in pristine phosphorene. For PO, the arrangement of the oxygen atoms significantly influences the optical properties. In particular, the absorption spectrum is extended along the solar spectrum, with a high absorption coefficient observed in the dangling structures. The maximum lectivity values are observed for the high energies of the light spectrum. Moreover, the first EELS peak is located in the visible region in all the structures except for one configuration that exhibits the same behavior as pure phosphorene. Finally, the exciton effect reveals that all PO conformers have a dark exciton state, which is suitable for long-lived applications.

Algebraic Bethe ansatz for the sℓ (2) Gaudin model with boundary

NASA Astrophysics Data System (ADS)

Cirilo António, N.; Manojlović, N.; Ragoucy, E.; Salom, I.

2015-04-01

Following Sklyanin's proposal in the periodic case, we derive the generating function of the Gaudin Hamiltonians with boundary terms. Our derivation is based on the quasi-classical expansion of the linear combination of the transfer matrix of the XXX Heisenberg spin chain and the central element, the so-called Sklyanin determinant. The corresponding Gaudin Hamiltonians with boundary terms are obtained as the residues of the generating function. By defining the appropriate Bethe vectors which yield strikingly simple off shell action of the generating function, we fully implement the algebraic Bethe ansatz, obtaining the spectrum of the generating function and the corresponding Bethe equations.

Electronic and optical properties of titanium nitride bulk and surfaces from first principles calculations

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

Mehmood, Faisal; General Dynamics Information Technology, Inc., Dayton, Ohio 45433; Pachter, Ruth, E-mail: ruth.pachter@us.af.mil

Prediction of the frequency-dependent dielectric function of thin films poses computational challenges, and at the same time experimental characterization by spectroscopic ellipsometry remains difficult to interpret because of changes in stoichiometry and surface morphology, temperature, thickness of the film, or substrate. In this work, we report calculations for titanium nitride (TiN), a promising material for plasmonic applications because of less loss and other practical advantages compared to noble metals. We investigated structural, electronic, and optical properties of stoichiometric bulk TiN, as well as of the TiN(100), TiN(110), and TiN(111) outermost surfaces. Density functional theory (DFT) and many-body GW methods (Green'smore » (G) function-based approximation with screened Coulomb interaction (W)) were used, ranging from G{sub 0}W{sub 0}, GW{sub 0} to partially self-consistent sc-GW{sub 0}, as well as the GW-BSE (Bethe-Salpeter equation) and time-dependent DFT (TDDFT) methods for prediction of the optical properties. Structural parameters and the band structure for bulk TiN were shown to be consistent with previous work. Calculated dielectric functions, plasma frequencies, reflectivity, and the electron energy loss spectrum demonstrated consistency with experiment at the GW{sub 0}-BSE level. Deviations from experimental data are expected due to varying experimental conditions. Comparison of our results to spectroscopic ellipsometry data for realistic nanostructures has shown that although TDDFT may provide a computationally feasible level of theory in evaluation of the dielectric function, application is subject to validation with GW-BSE calculations.« less

Study of Y and Lu iron garnets using Bethe-Peierls-Weiss method

NASA Astrophysics Data System (ADS)

Goveas, Neena; Mukhopadhyay, G.; Mukhopadhyay, P.

1994-11-01

We study here the magnetic properties of Y- and Lu- Iron Garnets using the Bethe- Peierls-Weiss method modified to suit complex systems like these Garnets. We consider these Garnets as described by Heisenberg Hamiltonian with two sublattices (a,d) and determine the exchange interaction parameters Jad, Jaa and Jdd by matching the exerimental susceptibility curves. We find Jaa and Jdd to be much smaller than those determined by Néel theory, and consistent with those obtained by the study of spin wave spectra; the spin wave dispersion relation constant obtained using these parameters gives good agreement with the experimental values.

Imaging Catalytic Activation of CO 2 on Cu 2O (110): A First-Principles Study

DOE PAGES

Li, Liang; Zhang, Rui; Vinson, John; ...

2018-03-05

Balancing global energy needs against increasing greenhouse gas emissions requires new methods for efficient CO 2 reduction. While photoreduction of CO 2 is a viable approach for fuel generation, the rational design of photocatalysts hinges on precise characterization of the surface catalytic reactions. Cu 2O is a promising next-generation photocatalyst, but the atomic-scale description of the interaction between CO 2 and the Cu 2O surface is largely unknown, and detailed experimental measurements are lacking. In this study, density-functional-theory (DFT) calculations have been performed to identify the Cu 2O (110) surface stoichiometry that favors CO 2 reduction. To facilitate interpretation ofmore » scanning tunneling microscopy (STM) and X-ray absorption near-edge structures (XANES) measurements, which are useful for characterizing catalytic reactions, we present simulations based on DFT-derived surface morphologies with various adsorbate types. STM and XANES simulations were performed using the Tersoff Hamann approximation and Bethe-Salpeter equation (BSE) approach, respectively. The results provide guidance for observation of CO 2 reduction reaction on, and rational surface engineering of, Cu 2O (110). In conclusion, they also demonstrate the effectiveness of computational image and spectroscopy modeling as a predictive tool for surface catalysis characterization.« less

Imaging Catalytic Activation of CO 2 on Cu 2O (110): A First-Principles Study

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

Li, Liang; Zhang, Rui; Vinson, John

Balancing global energy needs against increasing greenhouse gas emissions requires new methods for efficient CO 2 reduction. While photoreduction of CO 2 is a viable approach for fuel generation, the rational design of photocatalysts hinges on precise characterization of the surface catalytic reactions. Cu 2O is a promising next-generation photocatalyst, but the atomic-scale description of the interaction between CO 2 and the Cu 2O surface is largely unknown, and detailed experimental measurements are lacking. In this study, density-functional-theory (DFT) calculations have been performed to identify the Cu 2O (110) surface stoichiometry that favors CO 2 reduction. To facilitate interpretation ofmore » scanning tunneling microscopy (STM) and X-ray absorption near-edge structures (XANES) measurements, which are useful for characterizing catalytic reactions, we present simulations based on DFT-derived surface morphologies with various adsorbate types. STM and XANES simulations were performed using the Tersoff Hamann approximation and Bethe-Salpeter equation (BSE) approach, respectively. The results provide guidance for observation of CO 2 reduction reaction on, and rational surface engineering of, Cu 2O (110). In conclusion, they also demonstrate the effectiveness of computational image and spectroscopy modeling as a predictive tool for surface catalysis characterization.« less

Direct band gap silicon crystals predicted by an inverse design method

NASA Astrophysics Data System (ADS)

Oh, Young Jun; Lee, In-Ho; Lee, Jooyoung; Kim, Sunghyun; Chang, Kee Joo

2015-03-01

Cubic diamond silicon has an indirect band gap and does not absorb or emit light as efficiently as other semiconductors with direct band gaps. Thus, searching for Si crystals with direct band gaps around 1.3 eV is important to realize efficient thin-film solar cells. In this work, we report various crystalline silicon allotropes with direct and quasi-direct band gaps, which are predicted by the inverse design method which combines a conformation space annealing algorithm for global optimization and first-principles density functional calculations. The predicted allotropes exhibit energies less than 0.3 eV per atom and good lattice matches, compared with the diamond structure. The structural stability is examined by performing finite-temperature ab initio molecular dynamics simulations and calculating the phonon spectra. The absorption spectra are obtained by solving the Bethe-Salpeter equation together with the quasiparticle G0W0 approximation. For several allotropes with the band gaps around 1 eV, photovoltaic efficiencies are comparable to those of best-known photovoltaic absorbers such as CuInSe2. This work is supported by the National Research Foundation of Korea (2005-0093845 and 2008-0061987), Samsung Science and Technology Foundation (SSTF-BA1401-08), KIAS Center for Advanced Computation, and KISTI (KSC-2013-C2-040).

Optical properties of alkali halide crystals from all-electron hybrid TD-DFT calculations

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

Webster, R., E-mail: ross.webster07@imperial.ac.uk; Harrison, N. M.; Bernasconi, L.

2015-06-07

We present a study of the electronic and optical properties of a series of alkali halide crystals AX, with A = Li, Na, K, Rb and X = F, Cl, Br based on a recent implementation of hybrid-exchange time-dependent density functional theory (TD-DFT) (TD-B3LYP) in the all-electron Gaussian basis set code CRYSTAL. We examine, in particular, the impact of basis set size and quality on the prediction of the optical gap and exciton binding energy. The formation of bound excitons by photoexcitation is observed in all the studied systems and this is shown to be correlated to specific features ofmore » the Hartree-Fock exchange component of the TD-DFT response kernel. All computed optical gaps and exciton binding energies are however markedly below estimated experimental and, where available, 2-particle Green’s function (GW-Bethe-Salpeter equation, GW-BSE) values. We attribute this reduced exciton binding to the incorrect asymptotics of the B3LYP exchange correlation ground state functional and of the TD-B3LYP response kernel, which lead to a large underestimation of the Coulomb interaction between the excited electron and hole wavefunctions. Considering LiF as an example, we correlate the asymptotic behaviour of the TD-B3LYP kernel to the fraction of Fock exchange admixed in the ground state functional c{sub HF} and show that there exists one value of c{sub HF} (∼0.32) that reproduces at least semi-quantitatively the optical gap of this material.« less

Potential description of the charmonium from lattice QCD

NASA Astrophysics Data System (ADS)

Kawanai, Taichi; Sasaki, Shoichi

2016-01-01

We present spin-independent and spin-spin interquark potentials for charmonium states, that are calculated using a relativistic heavy quark action for charm quarks on the PACS-CS gauge configurations generated with the Iwasaki gauge action and 2+1 flavors of Wilson clover quark. The interquark potential with finite quark masses is defined through the equal-time Bethe-Salpeter amplitude. The light and strange quark masses are close to the physical point where the pion mass corresponds to Mπ ≈ 156(7) MeV, and charm quark mass is tuned to reproduce the experimental values of ηc and J/ψ states. Our simulations are performed with a lattice cutoff of a-1 ≈ 2.2 GeV and a spatial volume of (3 fm)3. We solve the nonrelativistic Schrödinger equation with resulting charmonium potentials as theoretical inputs. The resultant charmonium spectrum below the open charm threshold shows a fairly good agreement with experimental data of well-established charmonium states.

Excitonic Effects and Optical Absorption Spectrum of Doped Graphene

NASA Astrophysics Data System (ADS)

Jornada, Felipe; Deslippe, Jack; Louie, Steven

2012-02-01

First-principles calculations based on the GW-Bethe-Salpeter Equation (GW-BSE) approach and subsequent experiments have shown large excitonic effects in the optical absorbance of graphene. Here we employ the GW-BSE formalism to probe the effects of charge carrier doping and of having an external electric field on the absorption spectrum of graphene. We show that the absorbance peak due to the resonant exciton exhibits systematic changes in both its position and profile when graphene is gate doped by carriers, in excellent agreement to very recent measurementsootnotetextTony F. Heinz, private communications.. We analyze the various contributions to these changes in the absorption spectrum, such as the effects of screening by carriers to the quasiparticle energies and electron-hole interactions. This work was supported by National Science Foundation Grant No. DMR10-1006184, the U.S. Department of Energy under Contract No. DE-AC02-05CH11231, and the U.S. DOD - Office of Naval Research under RTC Grant No. N00014-09-1-1066. Computer time was provided by NERSC.

Excitation spectrum and staggering transformations in lattice quantum models.

PubMed

Faria da Veiga, Paulo A; O'Carroll, Michael; Schor, Ricardo

2002-08-01

We consider the energy-momentum excitation spectrum of diverse lattice Hamiltonian operators: the generator of the Markov semigroup of Ginzburg-Landau models with Langevin stochastic dynamics, the Hamiltonian of a scalar quantum field theory, and the Hamiltonian associated with the transfer matrix of a classical ferromagnetic spin system at high temperature. The low-lying spectrum consists of a one-particle state and a two-particle band. The two-particle spectrum is determined using a lattice version of the Bethe-Salpeter equation. In addition to the two-particle band, depending on the lattice dimension and on the attractive or repulsive character of the interaction between the particles of the system, there is, respectively, a bound state below or above the two-particle band. We show how the existence or nonexistence of these bound states can be understood in terms of a nonrelativistic single-particle lattice Schrödinger Hamiltonian with a delta potential. A staggering transformation relates the spectra of the attractive and the repulsive cases.

Linear Scaling of the Exciton Binding Energy versus the Band Gap of Two-Dimensional Materials

NASA Astrophysics Data System (ADS)

Choi, Jin-Ho; Cui, Ping; Lan, Haiping; Zhang, Zhenyu

2015-08-01

The exciton is one of the most crucial physical entities in the performance of optoelectronic and photonic devices, and widely varying exciton binding energies have been reported in different classes of materials. Using first-principles calculations within the G W -Bethe-Salpeter equation approach, here we investigate the excitonic properties of two recently discovered layered materials: phosphorene and graphene fluoride. We first confirm large exciton binding energies of, respectively, 0.85 and 2.03 eV in these systems. Next, by comparing these systems with several other representative two-dimensional materials, we discover a striking linear relationship between the exciton binding energy and the band gap and interpret the existence of the linear scaling law within a simple hydrogenic picture. The broad applicability of this novel scaling law is further demonstrated by using strained graphene fluoride. These findings are expected to stimulate related studies in higher and lower dimensions, potentially resulting in a deeper understanding of excitonic effects in materials of all dimensionalities.

Exploring the Influence of Dynamic Disorder on Excitons in Solid Pentacene

NASA Astrophysics Data System (ADS)

Wang, Zhiping; Sharifzadeh, Sahar; Doak, Peter; Lu, Zhenfei; Neaton, Jeffrey

2014-03-01

A complete understanding of the spectroscopic and charge transport properties of organic semiconductors requires knowledge of the role of thermal fluctuations and dynamic disorder. We present a first-principles theoretical study aimed at understanding the degree to which dynamic disorder at room temperature results in energy level broadening and excited-state localization within bulk crystalline pentacene. Ab initio molecular dynamics simulations are well-equilibrated for 7-9 ps and tens of thousands of structural snapshots, taken at 0.5 fs intervals, provide input for many-body perturbation theory within the GW approximation and Bethe-Salpeter equation (BSE) approach. The GW-corrected density of states, including thousands of snapshots, indicates that thermal fluctuations significantly broaden the valence and conduction states by >0.2 eV. Additionally, we investigate the nature and energy of the lowest energy singlet and triplet excitons, computed for a set of uncorrelated and energetically preferred structures. This work supported by DOE; computational resources provided by NERSC.

Charge symmetry breaking effects in pion and kaon structure

NASA Astrophysics Data System (ADS)

Hutauruk, Parada T. P.; Bentz, Wolfgang; Cloët, Ian C.; Thomas, Anthony W.

2018-05-01

Charge symmetry breaking (CSB) effects associated with the u and d quark mass difference are investigated in the quark distribution functions and spacelike electromagnetic form factors of the pion and kaon. We use a confining version of the Nambu-Jona-Lasinio model, where CSB effects at the infrared scale associated with the model are driven by the dressed u and d quark mass ratio, which because of dynamical chiral symmetry breaking is much closer to unity than the associated current quark mass ratio. The pion and kaon are given as bound states of a dressed quark and a dressed antiquark governed by the Bethe-Salpeter equation, and exhibit the properties of Goldstone bosons, with a pion mass difference given by mπ+2-mπ0 2∝(mu-md)2 as demanded by dynamical chiral symmetry breaking. We find significant CSB effects for realistic current quark mass ratios (mu/md˜0.5 ) in the quark flavor-sector electromagnetic form factors of both the pion and kaon. For example, the difference between the u and d quark contributions to the π+ electromagnetic form factors is about 8% at a momentum transfer of Q2≃10 GeV2 , while the analogous effect for the light quark sector form factors in the K+ and K0 is about twice as large. For the parton distribution functions we find CSB effects which are considerably smaller than those found in the electromagnetic form factors.

Functional renormalization group approach to electronic structure calculations for systems without translational symmetry

NASA Astrophysics Data System (ADS)

Seiler, Christian; Evers, Ferdinand

2016-10-01

A formalism for electronic-structure calculations is presented that is based on the functional renormalization group (FRG). The traditional FRG has been formulated for systems that exhibit a translational symmetry with an associated Fermi surface, which can provide the organization principle for the renormalization group (RG) procedure. We here advance an alternative formulation, where the RG flow is organized in the energy-domain rather than in k space. This has the advantage that it can also be applied to inhomogeneous matter lacking a band structure, such as disordered metals or molecules. The energy-domain FRG (ɛ FRG) presented here accounts for Fermi-liquid corrections to quasiparticle energies and particle-hole excitations. It goes beyond the state of the art G W -BSE , because in ɛ FRG the Bethe-Salpeter equation (BSE) is solved in a self-consistent manner. An efficient implementation of the approach that has been tested against exact diagonalization calculations and calculations based on the density matrix renormalization group is presented. Similar to the conventional FRG, also the ɛ FRG is able to signalize the vicinity of an instability of the Fermi-liquid fixed point via runaway flow of the corresponding interaction vertex. Embarking upon this fact, in an application of ɛ FRG to the spinless disordered Hubbard model we calculate its phase boundary in the plane spanned by the interaction and disorder strength. Finally, an extension of the approach to finite temperatures and spin S =1 /2 is also given.

Algebraic Bethe ansatz for the XXX chain with triangular boundaries and Gaudin model

NASA Astrophysics Data System (ADS)

Cirilo António, N.; Manojlović, N.; Salom, I.

2014-12-01

We implement fully the algebraic Bethe ansatz for the XXX Heisenberg spin chain in the case when both boundary matrices can be brought to the upper-triangular form. We define the Bethe vectors which yield the strikingly simple expression for the off shell action of the transfer matrix, deriving the spectrum and the relevant Bethe equations. We explore further these results by obtaining the off shell action of the generating function of the Gaudin Hamiltonians on the corresponding Bethe vectors through the so-called quasi-classical limit. Moreover, this action is as simple as it could possibly be, yielding the spectrum and the Bethe equations of the Gaudin model.

Large-N and Bethe Ansatz

NASA Astrophysics Data System (ADS)

Jurčo, Branislav

We describe an integrable model, related to the Gaudin magnet, and its relation to the matrix model of Brézin, Itzykson, Parisi and Zuber. Relation is based on Bethe ansatz for the integrable model and its interpretation using orthogonal polynomials and saddle point approximation. Large-N limit of the matrix model corresponds to the thermodynamic limit of the integrable system. In this limit (functional) Bethe ansatz is the same as the generating function for correlators of the matrix models.

Bethe states of the trigonometric SU(3) spin chain with generic open boundaries

NASA Astrophysics Data System (ADS)

Sun, Pei; Xin, Zhirong; Qiao, Yi; Wen, Fakai; Hao, Kun; Cao, Junpeng; Li, Guang-Liang; Yang, Tao; Yang, Wen-Li; Shi, Kangjie

2018-06-01

By combining the algebraic Bethe ansatz and the off-diagonal Bethe ansatz, we investigate the trigonometric SU (3) model with generic open boundaries. The eigenvalues of the transfer matrix are given in terms of an inhomogeneous T - Q relation, and the corresponding eigenstates are expressed in terms of nested Bethe-type eigenstates which have well-defined homogeneous limit. This exact solution provides a basis for further analyzing the thermodynamic properties and correlation functions of the anisotropic models associated with higher rank algebras.

Tensor numerical methods in quantum chemistry: from Hartree-Fock to excitation energies.

PubMed

Khoromskaia, Venera; Khoromskij, Boris N

2015-12-21

We resume the recent successes of the grid-based tensor numerical methods and discuss their prospects in real-space electronic structure calculations. These methods, based on the low-rank representation of the multidimensional functions and integral operators, first appeared as an accurate tensor calculus for the 3D Hartree potential using 1D complexity operations, and have evolved to entirely grid-based tensor-structured 3D Hartree-Fock eigenvalue solver. It benefits from tensor calculation of the core Hamiltonian and two-electron integrals (TEI) in O(n log n) complexity using the rank-structured approximation of basis functions, electron densities and convolution integral operators all represented on 3D n × n × n Cartesian grids. The algorithm for calculating TEI tensor in a form of the Cholesky decomposition is based on multiple factorizations using algebraic 1D "density fitting" scheme, which yield an almost irreducible number of product basis functions involved in the 3D convolution integrals, depending on a threshold ε > 0. The basis functions are not restricted to separable Gaussians, since the analytical integration is substituted by high-precision tensor-structured numerical quadratures. The tensor approaches to post-Hartree-Fock calculations for the MP2 energy correction and for the Bethe-Salpeter excitation energies, based on using low-rank factorizations and the reduced basis method, were recently introduced. Another direction is towards the tensor-based Hartree-Fock numerical scheme for finite lattices, where one of the numerical challenges is the summation of electrostatic potentials of a large number of nuclei. The 3D grid-based tensor method for calculation of a potential sum on a L × L × L lattice manifests the linear in L computational work, O(L), instead of the usual O(L(3) log L) scaling by the Ewald-type approaches.

Algebraic Bethe ansatz for the XXZ Heisenberg spin chain with triangular boundaries and the corresponding Gaudin model

NASA Astrophysics Data System (ADS)

Manojlović, N.; Salom, I.

2017-10-01

The implementation of the algebraic Bethe ansatz for the XXZ Heisenberg spin chain in the case, when both reflection matrices have the upper-triangular form is analyzed. The general form of the Bethe vectors is studied. In the particular form, Bethe vectors admit the recurrent procedure, with an appropriate modification, used previously in the case of the XXX Heisenberg chain. As expected, these Bethe vectors yield the strikingly simple expression for the off-shell action of the transfer matrix of the chain as well as the spectrum of the transfer matrix and the corresponding Bethe equations. As in the XXX case, the so-called quasi-classical limit gives the off-shell action of the generating function of the corresponding trigonometric Gaudin Hamiltonians with boundary terms.

Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

DOE PAGES

Hung, Linda; Bruneval, Fabien; Baishya, Kopinjol; ...

2017-04-07

Energies from the GW approximation and the Bethe–Salpeter equation (BSE) are benchmarked against the excitation energies of transition-metal (Cu, Zn, Ag, and Cd) single atoms and monoxide anions. We demonstrate that best estimates of GW quasiparticle energies at the complete basis set limit should be obtained via extrapolation or closure relations, while numerically converged GW-BSE eigenvalues can be obtained on a finite basis set. Calculations using real-space wave functions and pseudopotentials are shown to give best-estimate GW energies that agree (up to the extrapolation error) with calculations using all-electron Gaussian basis sets. We benchmark the effects of a vertex approximationmore » (ΓLDA) and the mean-field starting point in GW and the BSE, performing computations using a real-space, transition-space basis and scalar-relativistic pseudopotentials. Here, while no variant of GW improves on perturbative G0W0 at predicting ionization energies, G0W0Γ LDA-BSE computations give excellent agreement with experimental absorption spectra as long as off-diagonal self-energy terms are included. We also present G0W0 quasiparticle energies for the CuO –, ZnO –, AgO –, and CdO – anions, in comparison to available anion photoelectron spectra.« less

Benchmarking the GW Approximation and Bethe–Salpeter Equation for Groups IB and IIB Atoms and Monoxides

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

Hung, Linda; Bruneval, Fabien; Baishya, Kopinjol

Energies from the GW approximation and the Bethe–Salpeter equation (BSE) are benchmarked against the excitation energies of transition-metal (Cu, Zn, Ag, and Cd) single atoms and monoxide anions. We demonstrate that best estimates of GW quasiparticle energies at the complete basis set limit should be obtained via extrapolation or closure relations, while numerically converged GW-BSE eigenvalues can be obtained on a finite basis set. Calculations using real-space wave functions and pseudopotentials are shown to give best-estimate GW energies that agree (up to the extrapolation error) with calculations using all-electron Gaussian basis sets. We benchmark the effects of a vertex approximationmore » (ΓLDA) and the mean-field starting point in GW and the BSE, performing computations using a real-space, transition-space basis and scalar-relativistic pseudopotentials. Here, while no variant of GW improves on perturbative G0W0 at predicting ionization energies, G0W0Γ LDA-BSE computations give excellent agreement with experimental absorption spectra as long as off-diagonal self-energy terms are included. We also present G0W0 quasiparticle energies for the CuO –, ZnO –, AgO –, and CdO – anions, in comparison to available anion photoelectron spectra.« less

Status in calculating electronic excited states in transition metal oxides from first principles.

PubMed

Bendavid, Leah Isseroff; Carter, Emily Ann

2014-01-01

Characterization of excitations in transition metal oxides is a crucial step in the development of these materials for photonic and optoelectronic applications. However, many transition metal oxides are considered to be strongly correlated materials, and their complex electronic structure is challenging to model with many established quantum mechanical techniques. We review state-of-the-art first-principles methods to calculate charged and neutral excited states in extended materials, and discuss their application to transition metal oxides. We briefly discuss developments in density functional theory (DFT) to calculate fundamental band gaps, and introduce time-dependent DFT, which can model neutral excitations. Charged excitations can be described within the framework of many-body perturbation theory based on Green's functions techniques, which predominantly employs the GW approximation to the self-energy to facilitate a feasible solution to the quasiparticle equations. We review the various implementations of the GW approximation and evaluate each approach in its calculation of fundamental band gaps of many transition metal oxides. We also briefly review the related Bethe-Salpeter equation (BSE), which introduces an electron-hole interaction between GW-derived quasiparticles to describe accurately neutral excitations. Embedded correlated wavefunction theory is another framework used to model localized neutral or charged excitations in extended materials. Here, the electronic structure of a small cluster is modeled within correlated wavefunction theory, while its coupling to its environment is represented by an embedding potential. We review a number of techniques to represent this background potential, including electrostatic representations and electron density-based methods, and evaluate their application to transition metal oxides.

Many-body Green’s function theory for electron-phonon interactions: The Kadanoff-Baym approach to spectral properties of the Holstein dimer

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

Säkkinen, Niko; Peng, Yang; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin-Dahlem

2015-12-21

We present a Kadanoff-Baym formalism to study time-dependent phenomena for systems of interacting electrons and phonons in the framework of many-body perturbation theory. The formalism takes correctly into account effects of the initial preparation of an equilibrium state and allows for an explicit time-dependence of both the electronic and phononic degrees of freedom. The method is applied to investigate the charge neutral and non-neutral excitation spectra of a homogeneous, two-site, two-electron Holstein model. This is an extension of a previous study of the ground state properties in the Hartree (H), partially self-consistent Born (Gd) and fully self-consistent Born (GD) approximationsmore » published in Säkkinen et al. [J. Chem. Phys. 143, 234101 (2015)]. Here, the homogeneous ground state solution is shown to become unstable for a sufficiently strong interaction while a symmetry-broken ground state solution is shown to be stable in the Hartree approximation. Signatures of this instability are observed for the partially self-consistent Born approximation but are not found for the fully self-consistent Born approximation. By understanding the stability properties, we are able to study the linear response regime by calculating the density-density response function by time-propagation. This amounts to a solution of the Bethe-Salpeter equation with a sophisticated kernel. The results indicate that none of the approximations is able to describe the response function during or beyond the bipolaronic crossover for the parameters investigated. Overall, we provide an extensive discussion on when the approximations are valid and how they fail to describe the studied exact properties of the chosen model system.« less

Infrared Dielectric Screening Determines the Low Exciton Binding Energy of Metal-Halide Perovskites.

PubMed

Umari, Paolo; Mosconi, Edoardo; De Angelis, Filippo

2018-02-01

The performance of lead-halide perovskites in optoelectronic devices is due to a unique combination of factors, including highly efficient generation, transport, and collection of photogenerated charge carriers. The mechanism behind efficient charge generation in lead-halide perovskites is still largely unknown. Here, we investigate the factors that influence the exciton binding energy (E b ) in a series of metal-halide perovskites using accurate first-principles calculations based on solution of the Bethe-Salpeter equation, coupled to ab initio molecular dynamics simulations. We find that E b is strongly modulated by screening from low-energy phonons, which account for a factor ∼2 E b reduction, while dynamic disorder and rotational motion of the organic cations play a minor role. We calculate E b = 15 meV for MAPbI 3 , in excellent agreement with recent experimental estimates. We then explore how different material combinations (e.g., replacing Pb → Pb:Sn→ Sn; and MA → FA → Cs) may lead to different E b values and highlight the mechanisms underlying E b tuning.

Strong decays of DJ(3000 ) and Ds J(3040 )

NASA Astrophysics Data System (ADS)

Li, Si-Chen; Wang, Tianhong; Jiang, Yue; Tan, Xiao-Ze; Li, Qiang; Wang, Guo-Li; Chang, Chao-Hsi

2018-03-01

In this paper, we systematically calculate two-body strong decays of newly observed DJ(3000 ) and Ds J(3040 ) with 2 P (1+) and 2 P (1+') assignments in an instantaneous approximation of the Bethe-Salpeter equation method. Our results show that both resonances can be explained as the 2 P (1+') with broad width via 3P1 and 1P1 mixing in D and Ds families. For DJ(3000 ), the total width is 229.6 MeV in our calculation, close to the upper limit of experimental data, and the dominant decay channels are D2*π , D*π , and D*(2600 )π . For Ds J(3040 ), the total width is 157.4 MeV in our calculation, close to the lower limit of experimental data, and the dominant channels are D*K and D*K*. These results are consistent with observed channels in experiments. Given the very little information that has been obtained from experiments and the large error bars of the total decay widths, we recommend the detection of dominant channels in our calculation.

Interquark potential with finite quark mass from lattice QCD.

PubMed

Kawanai, Taichi; Sasaki, Shoichi

2011-08-26

We present an investigation of the interquark potential determined from the q ̄q Bethe-Salpeter (BS) amplitude for heavy quarkonia in lattice QCD. The q ̄q potential at finite quark mass m(q) can be calculated from the equal-time and Coulomb gauge BS amplitude through the effective Schrödinger equation. The definition of the potential itself requires information about a kinetic mass of the quark. We then propose a self-consistent determination of the quark kinetic mass on the same footing. To verify the proposed method, we perform quenched lattice QCD simulations with a relativistic heavy-quark action at a lattice cutoff of 1/a≈2.1  GeV in a range 1.0≤m(q)≤3.6 GeV. Our numerical results show that the q ̄q potential in the m(q)→∞ limit is fairly consistent with the conventional one obtained from Wilson loops. The quark-mass dependence of the q ̄q potential and the spin-spin potential are also examined. © 2011 American Physical Society

Assessment of the Accuracy of the Bethe-Salpeter (BSE/GW) Oscillator Strengths.

PubMed

Jacquemin, Denis; Duchemin, Ivan; Blondel, Aymeric; Blase, Xavier

2016-08-09

Aiming to assess the accuracy of the oscillator strengths determined at the BSE/GW level, we performed benchmark calculations using three complementary sets of molecules. In the first, we considered ∼80 states in Thiel's set of compounds and compared the BSE/GW oscillator strengths to recently determined ADC(3/2) and CC3 reference values. The second set includes the oscillator strengths of the low-lying states of 80 medium to large dyes for which we have determined CC2/aug-cc-pVTZ values. The third set contains 30 anthraquinones for which experimental oscillator strengths are available. We find that BSE/GW accurately reproduces the trends for all series with excellent correlation coefficients to the benchmark data and generally very small errors. Indeed, for Thiel's sets, the BSE/GW values are more accurate (using CC3 references) than both CC2 and ADC(3/2) values on both absolute and relative scales. For all three sets, BSE/GW errors also tend to be nicely spread with almost equal numbers of positive and negative deviations as compared to reference values.

Quasiparticle Lifetime Broadening in Resonant X-ray Scattering of NH4NO3.

PubMed

Vinson, John; Jach, Terrence; Müller, Matthias; Unterumsberger, Rainer; Beckhoff, Burkhard

2016-07-15

It has been previously shown that two effects cause dramatic changes in the x-ray absorption and emission spectra from the N K edge of the insulating crystal ammonium nitrate. First, vibrational disorder causes major changes in the absorption spectrum, originating not only from the thermal population of phonons, but, significantly, from zero-point motion as well. Second, the anomalously large broadening ( ~ 4 eV) of the emission originating from nitrate σ states is due to unusually short lifetimes of quasiparticles in an otherwise extremely narrow band. In this work we investigate the coupling of these effects to core and valence excitons that are created as the initial x-ray excitation energy is progressively reduced toward the N edge. Using a GW /Bethe-Salpeter approach, we show the extent to which this anomalous broadening is captured by the GW approximation. The data and calculations demonstrate the importance that the complex self-energies (finite lifetimes) of valence bands have on the interpretation of emission spectra. We produce a scheme to explain why extreme lifetimes should appear in σ states of other similar compounds.

Surface optical properties calculated from first principles: The influence of defects, self-energy and excitonic effects

NASA Astrophysics Data System (ADS)

Gero Schmidt, Wolf

2002-03-01

Optical spectroscopies are emerging as powerful tools to probe surfaces, since they allow for the real-time monitoring under challenging conditions as may be encountered, e.g., during material growth. However, their full potential can only be realised if it becomes possible to calculate surface optical spectra accurately and with true predictive power. Such calculations have been difficult, however, due to the large numerical expense involved. Based on a massively parallel, real-space multigrid implementation of DFT-LDA we have calculated reflectance anisotropy spectra for a wide range of group-IV materials and III-V compounds. Transitions between surface states give rise to specific, fingerprint-like spectral features. In addition, the anisotropic surface potential, the electric field at the surface of the sample and, to some extent, surface induced strain and relaxation may cause optical anisotropies in the layers underneath the surface. Surface defects have to be taken into account in order to explain some experimental results. Our DFT-LDA results explain very well the stoichiometric trends and qualitative features of the measured spectra. Quantitative agreement with the measured data is achieved by taking many-body effects into account. We include electronic self-energy corrections in the GW approximation using a model dielectric function to describe the screening. An efficient algorithm for solving the Bethe-Salpeter equation allows us to study the influence of electron-hole attraction and local-field effects on the surface optical properties.

First principles calculation of material properties of group IV elements and III-V compounds

NASA Astrophysics Data System (ADS)

Malone, Brad Dean

This thesis presents first principles calculations on the properties of group IV elements and group III-V compounds. It includes investigations into what structure a material is likely to form in, and given that structure, what are its electronic, optical, and lattice dynamical properties as well as what are the properties of defects that might be introduced into the sample. The thesis is divided as follows: • Chapter 1 contains some of the conceptual foundations used in the present work. These involve the major approximations which allow us to approach the problem of systems with huge numbers of interacting electrons and atomic cores. • Then, in Chapter 2, we discuss one of the major limitations to the DFT formalism introduced in Chapter 1, namely its inability to predict the quasiparticle spectra of materials and in particular the band gap of a semiconductor. We introduce a Green's function approach to the electron self-energy Sigma known as the GW approximation and use it to compute the quasiparticle band structures of a number of group IV and III-V semiconductors. • In Chapter 3 we present a first-principles study of a number of high-pressure metastable phases of Si with tetrahedral bonding. The phases studied include all experimentally determined phases that result from decompression from the metallic beta-Sn phase, specifically the BC8 (Si-III), hexagonal diamond (Si-IV), and R8 (Si-XII). In addition to these, we also study the hypothetical ST12 structure found upon decompression from beta-Sn in germanium. • Our attention is then turned to the first principles calculations of optical properties in Chapter 4. The Bethe-Salpeter equation is then solved to obtain the optical spectrum of this material including electron-hole interactions. The calculated optical spectrum is compared with experimental data for other forms of silicon commonly used in photovoltaic devices, namely the cubic, polycrystalline, and amorphous forms. • In Chapter 5 we present first principles calculations of the quasiparticle and optical excitation spectra of recently predicted silicon and germanium polytypes in the body-centered-tetragonal (bct) structure. The quasiparticle spectra calculated within the GW approximation predict that both silicon and germanium in the bct structure are small band gap materials. The optical spectra are then evaluated by solving the Bethe-Salpeter equation taking into account. • We examine the low-pressure phases of Ge in Chapter 6 by performing first principles calculations of the electronic structure and lattice dynamics of the R8, BC8, ST12, and hexagonal diamond structures of Ge. To aid future experimental investigation, we include predictions of the Raman-active frequencies of these phases as well as present the full phonon dispersion throughout the zone. • In Chapter 7 we demonstrate how first principles calculations can be used to predict new structures. In a study aimed at finding new useful forms of silicon, we use an ab initio random structure searching (AIRSS) method to identify a new phase of silicon in the Ibamstructure. The Ibam phase is found to be semimetallic within density functional theory with a small band overlap, and it is expected that quasiparticle corrections using the GW approximation would yield a semiconducting state with a small band gap. • We present a first-principles study of boron and phosphorus substitutional defects in Si-XII in Chapter 8. Recent result from nanoindentation experiments reveal that the Si-XII phase is semiconducting and has the interesting property that it can be doped n- and p-type at room temperature without an annealing step. Using the hybrid functional of Heyd, Scuseria, and Ernzerhof (HSE), we examine the formation energies of the B and P defects at the two distinct atomic sites in Si-XII to find on which site the substitutional defects are more easily accommodated. We also estimate the thermodynamic transition levels of each defect in its relevant charge states. (Abstract shortened by UMI.).

Euclidean bridge to the relativistic constituent quark model

NASA Astrophysics Data System (ADS)

Hobbs, T. J.; Alberg, Mary; Miller, Gerald A.

2017-03-01

Background: Knowledge of nucleon structure is today ever more of a precision science, with heightened theoretical and experimental activity expected in coming years. At the same time, a persistent gap lingers between theoretical approaches grounded in Euclidean methods (e.g., lattice QCD, Dyson-Schwinger equations [DSEs]) as opposed to traditional Minkowski field theories (such as light-front constituent quark models). Purpose: Seeking to bridge these complementary world views, we explore the potential of a Euclidean constituent quark model (ECQM). This formalism enables us to study the gluonic dressing of the quark-level axial-vector vertex, which we undertake as a test of the framework. Method: To access its indispensable elements with a minimum of inessential detail, we develop our ECQM using the simplified quark + scalar diquark picture of the nucleon. We construct a hyperspherical formalism involving polynomial expansions of diquark propagators to marry our ECQM with the results of Bethe-Salpeter equation (BSE) analyses, and constrain model parameters by fitting electromagnetic form factor data. Results: From this formalism, we define and compute a new quantity—the Euclidean density function (EDF)—an object that characterizes the nucleon's various charge distributions as functions of the quark's Euclidean momentum. Applying this technology and incorporating information from BSE analyses, we find the quenched dressing effect on the proton's axial-singlet charge to be small in magnitude and consistent with zero, while use of recent determinations of unquenched BSEs results in a large suppression. Conclusions: The quark + scalar diquark ECQM is a step toward a realistic quark model in Euclidean space, and needs additional refinements. The substantial effect we obtain for the impact on the axial-singlet charge of the unquenched dressed vertex compared to the quenched demands further investigation.

A review of electron-nucleus bremsstrahlung cross sections between 1 and 10 MeV

NASA Astrophysics Data System (ADS)

Mangiarotti, A.; Martins, M. N.

2017-12-01

More than 80 years have passed since the first calculations of electron-nucleus bremsstrahlung cross sections were published by Sommerfeld, for non-relativistic electrons, and, independently, by Sauter, Bethe and Heitler, and Racah, for relativistic electrons. The Bethe-Heitler expression, that is based on the first Born approximation and includes the screening of the Coulomb field of the nucleus by the atomic electrons, has proven to work well at moderately high energies where the Landau-Pomeranchuk-Migdal effect is negligible. We review the current theoretical and experimental status with a highlight on electrons with kinetic energies between 1 and 10 MeV. The choice is motivated by the peculiar difficulties present in this energy region, where it is necessary to treat simultaneously the interaction with the Coulomb field beyond the first Born approximation and the effect of screening. A fully numerical approach within the S-matrix formalism has proven to be extremely difficult above a few MeV, because the number of partial waves needed for an accurate evaluation is prohibitively large. Here we focus on analytic results, including the more complex ones employing the Furry-Sommerfeld-Maue wave functions and taking into account the next-to-leading order, and discuss the advantages and limitations in light of the best available data. The influence of multiple scattering in the target is investigated under the actual experimental conditions. A comparison with the widely used cross section tabulations by Seltzer and Berger is also presented.

Quasiparticle lifetime broadening in resonant x-ray scattering of NH4NO3

NASA Astrophysics Data System (ADS)

Vinson, John; Jach, Terrence; Müller, Matthias; Unterumsberger, Rainer; Beckhoff, Burkhard

2016-07-01

It has been previously shown that two effects cause dramatic changes in the x-ray absorption and emission spectra from the N K edge of the insulating crystal ammonium nitrate. First, vibrational disorder causes major changes in the absorption spectrum, originating not only from the thermal population of phonons, but, significantly, from zero-point motion as well. Second, the anomalously large broadening (˜4 eV) of the emission originating from nitrate σ states is due to the unusually short lifetimes of quasiparticles in an otherwise extremely narrow band. In this work, we investigate the coupling of these effects to core and valence excitons that are created as the initial x-ray excitation energy is progressively reduced toward the N edge. Using a G W /Bethe-Salpeter approach, we show the extent to which this anomalous broadening is captured by the G W approximation. The data and calculations demonstrate the importance that the complex self-energies (finite lifetimes) of the valence bands have on the interpretation of emission spectra. We produce a scheme to explain why extreme lifetimes should appear in σ states of other similar compounds.

Effective Hamiltonian approach to bright and dark excitons in single-walled carbon nanotubes

NASA Astrophysics Data System (ADS)

Choi, Sangkook; Deslippe, Jack; Louie, Steven G.

2009-03-01

Recently, excitons in single-walled carbon nanotubes (SWCNTs) have generated great research interest due to the large binding energies and unique screening properties associated with one-dimensional (1D) materials. Considerable progress in their theoretical understanding has been achieved by studies employing the ab initio GW-Bethe-Salpeter equation methodology. For example, the presence of bright and dark excitons with binding energies of a large fraction of an eV has been predicted and subsequently verified by experiment. Some of these results have also been quantitatively reproduced by recent model calculations using a spatially dependent screened Coulomb interaction between the excited electron and hole, an approach that would be useful for studying large diameter and chiral nanotubes with many atoms per unit cell. However, this previous model neglects the degeneracy of the band states and hence the dark excitons. We present an extension of this exciton model for the SWCNT, incorporating the screened Coulomb interaction as well as state degeneracy, to understand and compute the characteristics of the bright and dark excitons, such as the bright and dark level splittings. Supported by NSF #DMR07-05941, DOE #De-AC02-05CH11231 and computational resources from Teragrid and NERSC.

Environmental Screening Effects in 2D Materials: Renormalization of the Bandgap, Electronic Structure, and Optical Spectra of Few-Layer Black Phosphorus.

PubMed

Qiu, Diana Y; da Jornada, Felipe H; Louie, Steven G

2017-08-09

Few-layer black phosphorus has recently emerged as a promising 2D semiconductor, notable for its widely tunable bandgap, highly anisotropic properties, and theoretically predicted large exciton binding energies. To avoid degradation, it has become common practice to encapsulate black phosphorus devices. It is generally assumed that this encapsulation does not qualitatively affect their optical properties. Here, we show that the contrary is true. We have performed ab initio GW and GW plus Bethe-Salpeter equation (GW-BSE) calculations to determine the quasiparticle (QP) band structure and optical spectrum of one-layer (1L) through four-layer (4L) black phosphorus, with and without encapsulation between hexagonal boron nitride and sapphire. We show that black phosphorus is exceptionally sensitive to environmental screening. Encapsulation reduces the exciton binding energy in 1L by as much as 70% and completely eliminates the presence of a bound exciton in the 4L structure. The reduction in the exciton binding energies is offset by a similarly large renormalization of the QP bandgap so that the optical gap remains nearly unchanged, but the nature of the excited states and the qualitative features of the absorption spectrum change dramatically.

Constraining the intermediate-mass range of the Initial Mass Function using Galactic Cepheids

NASA Astrophysics Data System (ADS)

Mor, R.; Figueras, F.; Robin, A. C.; Lemasle, B.

2015-05-01

Aims. To use the Besançon Galaxy Model (Robin A.C. et al., 2003) and the most complete observational catalogues of Galactic Cepheids to constrain the intermediate-mass range of the Initial Mass Function (IMF) in the Milky Way Galactic thin disc. Methods. We have optimized the flexibility of the new Besançon Galaxy Model (Czekaj et al., 2014) to simulate magnitude and distance complete samples of young intermediate mass stars assuming different IMFs and Star Formation Histories (SFH). Comparing the simulated synthetic catalogues with the observational data, we studied which IMF reproduces better the observational number of Cepheids in the Galactic thin disc. We analysed three different IMFs: (1) Salpeter, (2) Kroupa-Haywood and (3) Haywood-Robin, all of them with a decreasing SFH from Aumer and Binney, 2009. Results. For the first time the Besançon Galaxy Model is used to characterize the Galactic Cepheids. We find that for most of the cases the Salpeter IMF overestimates the number of observed Cepheids and Haywood-Robin IMF underestimates it. The Kroupa-Haywood IMF, with a slope α=3.2, is the one that best reproduces the observed Cepheids. From the comparison of the predicted and observed number of Cepheids up to V=12, we point that the model might underestimate the scale-height of the young population. The effects of the variation of the model ingredients need to be quantified. Conclusions. In agreement with Kroupa and Weidner (2003), our study shows that the Salpeter IMF (α=2.35) overestimates the star counts in the range 4 ≤ M/M_{⊙} ≤ 10 and supports the idea that the slope of the intermediate and massive stars IMF is steeper than the Salpeter IMF.

Structure preserving parallel algorithms for solving the Bethe–Salpeter eigenvalue problem

DOE PAGES

Shao, Meiyue; da Jornada, Felipe H.; Yang, Chao; ...

2015-10-02

The Bethe–Salpeter eigenvalue problem is a dense structured eigenvalue problem arising from discretized Bethe–Salpeter equation in the context of computing exciton energies and states. A computational challenge is that at least half of the eigenvalues and the associated eigenvectors are desired in practice. In this paper, we establish the equivalence between Bethe–Salpeter eigenvalue problems and real Hamiltonian eigenvalue problems. Based on theoretical analysis, structure preserving algorithms for a class of Bethe–Salpeter eigenvalue problems are proposed. We also show that for this class of problems all eigenvalues obtained from the Tamm–Dancoff approximation are overestimated. In order to solve large scale problemsmore » of practical interest, we discuss parallel implementations of our algorithms targeting distributed memory systems. Finally, several numerical examples are presented to demonstrate the efficiency and accuracy of our algorithms.« less

Exact ground-state correlation functions of an atomic-molecular Bose–Einstein condensate model

NASA Astrophysics Data System (ADS)

Links, Jon; Shen, Yibing

2018-05-01

We study the ground-state properties of an atomic-molecular Bose–Einstein condensate model through an exact Bethe Ansatz solution. For a certain range of parameter choices, we prove that the ground-state Bethe roots lie on the positive real-axis. We then use a continuum limit approach to obtain a singular integral equation characterising the distribution of these Bethe roots. Solving this equation leads to an analytic expression for the ground-state energy. The form of the expression is consistent with the existence of a line of quantum phase transitions, which has been identified in earlier studies. This line demarcates a molecular phase from a mixed phase. Certain correlation functions, which characterise these phases, are then obtained through the Hellmann–Feynman theorem.

Hans A. Bethe Prize: Cosmic Collisions Online - Compact Binary Mergers, Gravitational Waves and Gamma-Ray Bursts

NASA Astrophysics Data System (ADS)

Shapiro, Stuart

2017-01-01

Hans A. Bethe elucidated our understanding of the fundamental forces of Nature by exploring and explaining countless phenomena occurring in nuclear laboratories and in stars. With the dawn of gravitational wave astronomy we now can probe compact binary mergers - Nature's cosmic collision experiments - to deepen our understanding, especially where strong-field gravitation is involved. In addition to gravitational waves, some mergers are likely to generate observable electromagnetic and/or neutrino radiation, heralding a new era of multimessenger astronomy. Robust numerical algorithms now allow us to simulate these events in full general relativity on supercomputers. We will describe some recent magnetohydrodynamic simulations that show how binary black hole-neutron star and neutron star-neutron star mergers can launch jets, lending support to the idea that such mergers could be the engines that power short gamma-ray bursts. We will also show how the magnetorotational collapse of very massive stars to spinning black holes immersed in magnetized accretion disks can launch jets as well, reinforcing the belief that such ``collapsars'' are the progenitors of long gamma-ray bursts. Computer-generated movies highlighting some of these simulations will be shown. We gratefully acknowledge support from NSF Grants 1300903 and 1602536 and NASA Grant NNX13AH44G.

Obituary: Hans Albrecht Bethe, 1906-2005

NASA Astrophysics Data System (ADS)

Wijers, Ralph

2007-12-01

One of the unquestioned giants of physics and astrophysics, Hans Bethe, died on 6 March 2005, at the venerable age of 98, in his home town of Ithaca, New York. Seven decades of contributing to research and a Nobel Prize for his work on stellar hydrogen burning make a listing of his honors superfluous (besides being impossible in this space). Bethe was born in Strassburg, in then German Alsass Lothringen, on 2 July 1906. His father, Albrecht Julius Bethe (1872-1954), taught physiology at the University, and his mother, Anna Kuhn (1876-1966), was a musician and writer. Both his grandfathers were physicians. He spent his youth in Strassburg, Kiel, and Frankfurt, and some time in sanatoria due to tuberculosis. Hans's first scientific paper, at age 18, was with his father and a colleague, on dialysis. His education and early career in Germany brought him into contact with many top stars in the quantum revolution. Starting in Frankfurt in chemistry, Bethe soon switched to physics, taught there by Walter Gerlach and Karl Meissner, among others. In 1926, he successfully applied to join Arnold Sommerfeld's group in Munich, where he met one of his later long-term collaborators, Rudolf Peierls. Bethe considered his entry into physics to have come at an ideal time, with the new ideas of wave mechanics being developed and discussed right there; it was certainly also at an ideal place. His doctoral thesis was on the theory of electron diffraction by crystals, following the experimental work by Clinton Davisson and Lester Germer and the work on X-ray diffraction by Max von Laue and Paul Ewald. The newly minted doctor went from there briefly to Frankfurt and then to Ewald in Stuttgart, where he felt at home academically and personally. In 1939, Bethe would marry Ewald's daughter Rose. Not much later, though, Sommerfeld recalled him to Munich, where Sommerfeld created a Privatdozent position for him. There he worked out the solution for a linear chain of coupled spins by what we now call the "Bethe Ansatz." Soon after his acceptance of an assistant professorship at Tübingen in 1932, he had to flee Hitler's Germany because his mother was Jewish. Bethe went to the Bragg Institute in Manchester, England, where he worked again with Peierls. In 1934, Cornell University unexpectedly offered him a position as part of R. Clifton Gibbs's expansion of the physics department; he accepted and stayed there for the rest of his life. Right from the start, Bethe enjoyed America and its atmosphere very much. His first activity there was to write the "Bethe Bible": three articles in Reviews of Modern Physics to educate his colleagues in theoretical nuclear physics. Then he did the work that astrophysicists will still appreciate him most for, and which brought him the 1967 Nobel Prize. Having worked with George Gamow's student Charles Critchfield (at Gamow's suggestion) on the proton-proton chain for nuclear fusion in the Sun (published in 1938), Bethe was initially a bit discouraged with Arthur Eddington's estimates of the Solar core temperature; their calculations did not agree well with the observed solar luminosity. However, at the Washington conference in 1937, he heard of Strömgren's new estimates of the solar interior, which brought his and Critchfield's theory into much better agreement with the data. Fairly soon after the meeting, Bethe also worked out the process whereby more massive stars must accomplish hydrogen fusion, in what we now call the CNO cycle. Curiously, Bethe held up its publication briefly in order to compete for a prize for the best unpublished paper on energy production in stars. He did win, and used the money in part to bring his mother to the United States; eventually, the paper appeared in Physics Review in 1939, and founded a whole branch of astrophysics. The war brought Bethe to the Manhattan project, of which he became one of the intellectual leaders. He ploughed through problems theoretical and practical by attacking them head-on and not allowing himself to be side-tracked by those who would deem the problem be much more complex and difficult, moving straight forward like an intellectual battleship ("The H.A. Bethe Way," as his collaborator Gerald E. Brown would dub the style). Bethe's involvement in the Project brought to light his abilities in the managerial and political arena, which he used later to much effect to influence the wider world; he was among those who fought hard during the Cold War to contain the impact of the terrible weapons he had helped invent. As his two children, Henry and Monica, were born, the war years also made him a family man. As his father did with him, he often took them on long walks, in the hills around Ithaca or further afield; he much enjoyed walking, and mountains. Just after the war, during and following the June 1947 Shelter Island Conference, Bethe made another of his great contributions to physics—some might say his greatest. The experiments by Willis Lamb and Robert Retherford, on what came to be known as the "Lamb shift," were discussed, and during the meeting the assembled crowd (Richard Feynman, Julian Schwinger, and Hendrick Kramers among them) got stuck on the infinities of QED. During the train ride home, Bethe managed to compute the correct answer by realizing that the complex QED machinery could be bypassed, the H.A. Bethe Way. His 1967 Nobel Prize spurred a brief revival of Bethe's interest in astrophysics, but his work in the following years continued to focus on nuclear physics and dense matter (and disarmament and nuclear power, of course). In 1978 he re-entered astrophysics with a bang: Bethe was losing interest in nuclear physics and, after a few years of trying, Gerry Brown lured him back to astrophysics during a stay at the Nordic Institute for Theoretical Physics (NORDITA). The refugee from Hitler and the refugee from McCarthy jointly attacked the problem of supernova collapse. Bethe had the crucial insight that the low entropy of massive stellar cores would cause them to collapse to well above nuclear density, contrary to prevailing opinion. With James Applegate and James Lattimer, they published their finding in the BBAL ('"babble") paper of 1979. After that, astrophysics never quite left Bethe again, and with Brown (his "junior collaborator"), he took an interest in the fate of massive stars and black holes more generally. The series of papers on formation of black holes, gamma-ray bursts, and gravity-wave sources continued until close to his death. These papers are done very much the H.A. Bethe Way, often finding simple approximations to much more complicated work of others, and are quite straightforward. An inevitable part of the Bethe-Brown collaboration was a January stay in California; during the 1999 edition I had the good fortune of becoming a small footnote to the great Bethe story. Gerry and Hans invited me to join them for a while, to discuss issues of binary star evolution and population synthesis. I have to admit to being rather taken aback by the way in which the 93-year old gave me a good intellectual runaround every day. And yet, as many others have commented, there was nothing facetious or overbearing in his manner: He made me feel like a valuable colleague and welcome guest. Good meals were an essential part of Hans's every day, and during a dinner prepared by Rose Bethe and Betty Brown, the old stories surfaced. I could not resist asking about the legendary story of Rose and Hans's evening walk under the stars. Hans, so says the story, tried to impress his fiancée by commenting that at that moment, he was probably the only person on Earth who understood why the stars shine. Hans grinned a bit sheepishly, but Rose roundly confirmed the story with a big smile. Not too impressed, she had replied: "That's nice." And so it was.

Elementary functions in thermodynamic Bethe ansatz

NASA Astrophysics Data System (ADS)

Suzuki, J.

2015-05-01

Some years ago, Fendley found an explicit solution to the thermodynamic Bethe ansatz (TBA) equation for an N=2 supersymmetric theory in 2D with a specific F-term. Motivated by this, we seek explicit solutions for other super-potential cases utilizing the idea from the ODE/IM correspondence. We find that the TBA equations, corresponding to a wider class of super-potentials, admit solutions in terms of elementary functions such as modified Bessel functions and confluent hyper-geometric series. Based on talks given at ‘Infinite Analysis 2014’ (Tokyo, 2014) and at ‘Integrable lattice models and quantum field theories’ (Bad Honnef, 2014).

Hadronic molecular states from the Kbar{K}^{ast} interaction

NASA Astrophysics Data System (ADS)

Lü, Pei-Liang; He, Jun

2016-12-01

In this work, the Kbar{K}^{ast} interaction is studied in a quasipotential Bethe-Salpeter equation approach combined with the one-boson-exchange model. With the help of the hidden-gauge Lagrangian, the exchanges of pseudoscalar mesons (π and η) and vector mesons (ρ, ω and φ) are considered to describe the Kbar{K}^{ast} interaction. Besides the direct vector-meson exchange which can be related to the Weinberg-Tomozawa term, pseudoscalar-meson exchanges also play important roles in the mechanism of the Kbar{K}^{ast} interaction. The poles of scattering amplitude are searched to find the molecular states produced from the Kbar{K}^{ast} interaction. In the case of quantum number IG(J^{PC}) = 0+(1^{++}), a pole is found with a reasonable cutoff, which can be related to the f1(1285) in experiment. Another bound state with 0-(1^{+-}) is also produced from the Kbar{K}^{ast} interaction, which can be related to the h1(1380). In the isovector sector, the interaction is much weaker and a bound state with 1+(1+) relevant to the b1(1235) is produced but at a larger cutoff. Our results suggest that in the hadronic molecular state picture the f1(1285) and b1(1235) are the strange partners of the X(3872) and Zc(3900), respectively.

Excitonic states and defect physics of two-dimensional group-IV monochalcogenides.

NASA Astrophysics Data System (ADS)

Gomes, Lidia; Carvalho, Alexandra; Trevisanutto, Paolo; Rodin, Aleksandr; Neto, Antonio

Layered group-IV monochalcogenides have become an important group of materials within the ever-growing family of two-dimensional crystals. Among the binary IV-VI compounds, SnS, SnSe, GeS, and GeSe form a subgroup with orthorhombic structure which has shown exciting particularities and has been considered of high potential for numerous application. We give a brief overview of some important properties of the 2D form of this group and focus on recent results addressing the excitonic properties and the impact of the introduction of point defects on their structures. Vacancies and oxygen defects are modeled using first principles calculations. Energetic and structural analysis of five different models for chemisorbed oxygen atoms, reveals a better resistance of these materials to oxidation if compared to their isostructural partner, phosphorene. We also discuss a parallel work where quasi-particle band structure and excitonic properties of GeS and GeSe monolayers are investigated through ab initio GW and Bethe-Salpeter equation calculations. Within the main results, we show that the optical spectra of both materials are dominated by excitonic effects, however, GeS presents a remarkably larger binding energy of 1 eV. NRF-CRP award Novel 2D materials with tailored properties: beyond graphene (R-144-000-295-281) 1.

Enormous excitonic effects in bulk, mono- and bi- layers of cuprous halides using many-body perturbation technique

NASA Astrophysics Data System (ADS)

Azhikodan, Dilna; Nautiyal, Tashi

2017-10-01

Cuprous halides (CuX with X = Cl, Br, I), intensely studied about four decades ago by experimentalists for excitons, are again drawing attention of researchers recently. Potential of cuprous halide systems for device applications has not yet been fully explored. We go beyond the one-particle picture to capture the two-particle physics (electron-hole interaction to form excitons). We have deployed the full tool kit of many-body perturbation technique, GW approximation + Bethe Salpeter equation, to unfurl the rich excitonic physics of the bulk as well as layers of CuX. The negative spin-orbit contribution at the valence band top in CuCl, compared to CuBr and CuI, is in good agreement with experiments. We note that CuX have exceptionally strong excitons, defying the linear fit (between the excitonic binding energy and band gap) encompassing many semiconductors. The mono- and bi- layers of cuprous halides are predicted to be rich in excitons, with exceptionally large binding energies and the resonance energies in UV/visible region. Hence this work projects CuX layers as good candidates for optoelectronic applications. With advancement of technology, we look forward to experimental realization of CuX layers and harnessing of their rich excitonic potential.

Multiple Exciton Generation in Semiconductor Nanostructures: DFT-based Computation

NASA Astrophysics Data System (ADS)

Mihaylov, Deyan; Kryjevski, Andrei; Kilin, Dmitri; Kilina, Svetlana; Vogel, Dayton

Multiple exciton generation (MEG) in nm-sized H-passivated Si nanowires (NWs), and quasi 2D nanofilms depends strongly on the degree of the core structural disorder as shown by the perturbation theory calculations based on the DFT simulations. In perturbation theory, we work to the 2nd order in the electron-photon coupling and in the (approximate) RPA-screened Coulomb interaction. We also include the effect of excitons for which we solve Bethe-Salpeter Equation. To describe MEG we calculate exciton-to-biexciton as well as biexciton-to-exciton rates and quantum efficiency (QE). We consider 3D arrays of Si29H36 quantum dots, NWs, and quasi 2D silicon nanofilms, all with both crystalline and amorphous core structures. Efficient MEG with QE of 1.3 up to 1.8 at the photon energy of about 3Egap is predicted in these nanoparticles except for the crystalline NW and film where QE ~=1. MEG in the amorphous nanoparticles is enhanced by the electron localization due to structural disorder. The exciton effects significantly red-shift QE vs. photon energy curves. Nm-sized a-Si NWs and films are predicted to have effective MEG within the solar spectrum range. Also, we find efficient MEG in the chiral single-wall Carbon nanotubes and in a perovskite nanostructure.

The Wigner function in the relativistic quantum mechanics

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

Kowalski, K., E-mail: kowalski@uni.lodz.pl; Rembieliński, J.

2016-12-15

A detailed study is presented of the relativistic Wigner function for a quantum spinless particle evolving in time according to the Salpeter equation. - Highlights: • We study the Wigner function for a quantum spinless relativistic particle. • We discuss the relativistic Wigner function introduced by Zavialov and Malokostov. • We introduce relativistic Wigner function based on the standard definition. • We find analytic expressions for relativistic Wigner functions.

Quasiparticle energies, excitonic effects, and dielectric screening in transparent conducting oxides

NASA Astrophysics Data System (ADS)

Schleife, André

Using the power of high-performance super computers, computational materials scientists nowadays employ highly accurate quantum-mechanical approaches to reliably predict materials properties. In particular, many-body perturbation theory is an excellent framework for performing theoretical spectroscopy on novel materials including transparent conducting oxides, since this framework accurately describes quasiparticle and excitonic effects.We recently used hybrid exchange-correlation functionals and an efficient implementation of the Bethe-Salpeter approach to investigate several important transparent conducting oxides. Despite their exceptional potential for applications in photovoltaics and optoelectronics their optical properties oftentimes remain poorly understood: Our calculations explain the optical spectrum of bixbyite indium oxide over a very large photon energy range, which allows us to discuss the importance of quasiparticle and excitonic effects at low photon energies around the absorption onset, but also for excitations up to 40 eV. We show that in this regime the energy dependence of the electronic self energy cannot be neglected. Furthermore, we investigated the influence of excitonic effects on optical absorption for lanthanum-aluminum oxide and hafnium oxide. Their complicated conduction band structures require an accurate description of quasiparticle energies and we find that for these strongly polar materials, a contribution of the lattice polarizability to dielectric screening needs to be taken into account. We discuss how this affects the electron-hole interaction and find a strong influence on excitonic effects.The deep understanding of electronic excitations that can be obtained using these modern first-principles techniques, eventually will allow for computational materials design, e.g. of band gaps, densities of states, and optical properties of transparent conducting oxides and other materials with societally important applications.

Bethe Ansatz solutions for highest states in Script N = 4 SYM and AdS/CFT duality

NASA Astrophysics Data System (ADS)

Beccaria, Matteo; DelDebbio, Luigi

2006-09-01

We consider the operators with highest anomalous dimension Δ in the compact rank-one sectors fraktur sfraktur u(1|1) and fraktur sfraktur u(2) of Script N = 4 super Yang-Mills. We study the flow of Δ from weak to strong 't Hooft coupling λ by solving (i) the all-loop gauge Bethe Ansatz, (ii) the quantum string Bethe Ansatz. The two calculations are carefully compared in the strong coupling limit and exhibit different exponents ν in the leading order expansion Δ ~ λν. We find ν = 1/2 and ν = 1/4 for the gauge or string solution. This strong coupling discrepancy is not unexpected, and it provides an explicit example where the gauge Bethe Ansatz solution cannot be trusted at large λ. Instead, the string solution perfectly reproduces the Gubser-Klebanov-Polyakov law Δ = 2n1/2 λ1/4. In particular, we provide an analytic expression for the integer level n as a function of the U(1) charge in both sectors.

The Bethe ansatz

NASA Astrophysics Data System (ADS)

Levkovich-Maslyuk, Fedor

2016-08-01

We give a pedagogical introduction to the Bethe ansatz techniques in integrable QFTs and spin chains. We first discuss and motivate the general framework of asymptotic Bethe ansatz for the spectrum of integrable QFTs in large volume, based on the exact S-matrix. Then we illustrate this method in several concrete theories. The first case we study is the SU(2) chiral Gross-Neveu model. We derive the Bethe equations via algebraic Bethe ansatz, solving in the process the Heisenberg XXX spin chain. We discuss this famous spin chain model in some detail, covering in particular the coordinate Bethe ansatz, some properties of Bethe states, and the classical scaling limit leading to finite-gap equations. Then we proceed to the more involved SU(3) chiral Gross-Neveu model and derive the Bethe equations using nested algebraic Bethe ansatz to solve the arising SU(3) spin chain. Finally we show how a method similar to the Bethe ansatz works in a completely different setting, namely for the 1D oscillator in quantum mechanics.

Fast analytic solver of rational Bethe equations

NASA Astrophysics Data System (ADS)

Marboe, C.; Volin, D.

2017-05-01

In this note we propose an approach for a fast analytic determination of all possible sets of Bethe roots corresponding to eigenstates of rational {GL}({N}\\vert {M}) integrable spin chains of given not too large length, in terms of Baxter Q-functions. We observe that all exceptional solutions, if any, are automatically correctly accounted. The key intuition behind the approach is that the equations on the Q-functions are determined solely by the Young diagram, and not by the choice of the rank of the {GL} symmetry. Hence we can choose arbitrary {N} and {M} that accommodate the desired representation. Then we consider all distinguished Q-functions at once, not only those following a certain Kac-Dynkin path.

Study of RE-garnets using BPW method

NASA Astrophysics Data System (ADS)

Goveas, Neena; Mukhopadhyay, P.; Mukhopadhyay, G.

1995-02-01

The magnetic susceptibility of rare-earth (Y and Lu) iron garnets is studied using a modified Bethe-Peierls-Weiss (BPW) approximation. The modifications enable us to incorporate the three exchange parameters Jad, Jaa and Jdd necessary to describe the systems. We get excellent fits to the experimental susceptibilities from which we determined the J-values. These also give excellent agreement with the spin wave dispersion relation constant D.

Multistrange Meson-Baryon Dynamics and Resonance Generation

NASA Astrophysics Data System (ADS)

Khemchandani, K. P.; Martínez Torres, A.; Hosaka, A.; Nagahiro, H.; Navarra, F. S.; Nielsen, M.

2018-05-01

In this talk I review our recent studies on meson-baryon systems with strangeness - 1 and - 2. The motivation of our works is to find resonances generated as a consequence of coupled channel meson-baryon interactions. The coupled channels are all meson-baryon systems formed by combining a pseudoscalar or a vector meson with an octet baryon such that the system has the strange quantum number equal to - 1 or - 2. The lowest order meson-baryon interaction amplitudes are obtained from Lagrangians based on the chiral and the hidden local symmetries related to the vector mesons working as the gauge bosons. These lowest order amplitudes are used as an input to solve the Bethe-Salpeter equation and a search for poles is made in the resulting amplitudes, in the complex plane. In case of systems with strangeness - 1, we find evidence for the existence of some hyperons such as: Λ(2000), Σ(1750), Σ(1940), Σ(2000). More recently, in the study of strangeness - 2 systems we have found two narrow resonances which can be related to Ξ (1690) and Ξ(2120). In this latter work, we have obtained the lowest order amplitudes relativistically as well as in the nonrelativistic approximation to solve the scattering equations. We find that the existence of the poles in the complex plane does not get affected by the computation of the scattering equation with the lowest order amplitudes obtained in the nonrelativistic approximation.

Photoactivated processes in optical fibers: generation and conversion mechanisms of twofold coordinated Si and Ge atoms

NASA Astrophysics Data System (ADS)

Giacomazzi, Luigi; Martin-Samos, L.; Boukenter, A.; Ouerdane, Y.; Girard, S.; Alessi, A.; de Gironcoli, S.; Richard, N.

2017-05-01

In this work we present an extensive investigation of nanoscale physical phenomena related to oxygen-deficient centers (ODCs) in silica and Ge-doped silica by means of first-principles calculations, including nudged-elastic band, electron paramagnetic resonance parameters calculations, and many-body perturbation theory (GW and Bethe-Salpeter equation) techniques. We show that by neutralizing positively charged oxygen monovacancies we can obtain model structures of twofold Si and Ge defects of which the calculated absorption spectra and singlet-to-triplet transitions are in excellent agreement with the experimental optical absorption and photo-luminescence data. In particular we provide an exhaustive analysis of the main exciton peaks related to the presence of twofold defects including long-range correlation effects. By calculating the reaction pathways and energy barriers necessary for the interconversion, we advance a double precursory origin of the {E}α \\prime and Ge(2) centers as due to the ionization of neutral oxygen monovacancies (Si-Si and Ge-Si dimers) and as due to the ionization of twofold Si and Ge defects. Furthermore two distinct structural conversion mechanisms are found to occur between the neutral oxygen monovacancy and the twofold Si (and Ge) atom configurations. Such conversion mechanisms allow to explain the radiation induced generation of the ODC(II) centers, their photobleaching, and also their generation during the drawing of optical fibers.

Decreasing the electronic confinement in layered perovskites through intercalation.

PubMed

Smith, Matthew D; Pedesseau, Laurent; Kepenekian, Mikaël; Smith, Ian C; Katan, Claudine; Even, Jacky; Karunadasa, Hemamala I

2017-03-01

We show that post-synthetic small-molecule intercalation can significantly reduce the electronic confinement of 2D hybrid perovskites. Using a combined experimental and theoretical approach, we explain structural, optical, and electronic effects of intercalating highly polarizable molecules in layered perovskites designed to stabilize the intercalants. Polarizable molecules in the organic layers substantially alter the optical and electronic properties of the inorganic layers. By calculating the spatially resolved dielectric profiles of the organic and inorganic layers within the hybrid structure, we show that the intercalants afford organic layers that are more polarizable than the inorganic layers. This strategy reduces the confinement of excitons generated in the inorganic layers and affords the lowest exciton binding energy for an n = 1 perovskite of which we are aware. We also demonstrate a method for computationally evaluating the exciton's binding energy by solving the Bethe-Salpeter equation for the exciton, which includes an ab initio determination of the material's dielectric profile across organic and inorganic layers. This new semi-empirical method goes beyond the imprecise phenomenological approximation of abrupt dielectric-constant changes at the organic-inorganic interfaces. This work shows that incorporation of polarizable molecules in the organic layers, through intercalation or covalent attachment, is a viable strategy for tuning 2D perovskites towards mimicking the reduced electronic confinement and isotropic light absorption of 3D perovskites while maintaining the greater synthetic tunability of the layered architecture.

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

Cirilo Antonio, N.; Manojlovic, N.; Departamento de Matematica, FCT, Universidade do Algarve, Campus de Gambelas, 8005-139 Faro

sl{sub 2} Gaudin model with jordanian twist is studied. This system can be obtained as the semiclassical limit of the XXX spin chain deformed by the jordanian twist. The appropriate creation operators that yield the Bethe states of the Gaudin model and consequently its spectrum are defined. Their commutation relations with the generators of the corresponding loop algebra as well as with the generating function of integrals of motion are given. The inner products and norms of Bethe states and the relation to the solutions of the Knizhnik-Zamolodchikov equations are discussed.

Retrieve the Bethe states of quantum integrable models solved via the off-diagonal Bethe Ansatz

NASA Astrophysics Data System (ADS)

Zhang, Xin; Li, Yuan-Yuan; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

2015-05-01

Based on the inhomogeneous T-Q relation constructed via the off-diagonal Bethe Ansatz, a systematic method for retrieving the Bethe-type eigenstates of integrable models without obvious reference state is developed by employing certain orthogonal basis of the Hilbert space. With the XXZ spin torus model and the open XXX spin- \\frac{1}{2} chain as examples, we show that for a given inhomogeneous T-Q relation and the associated Bethe Ansatz equations, the constructed Bethe-type eigenstate has a well-defined homogeneous limit.

Solitons on Noncommutative Torus as Elliptic Calogero-Gaudin Models, Branes and Laughlin Wave Functions

NASA Astrophysics Data System (ADS)

Hou, Bo-Yu; Peng, Dan-Tao; Shi, Kang-Jie; Yue, Rui-Hong

For the noncommutative torus T, in the case of the noncommutative parameter θ = (Z)/(n), we construct the basis of Hilbert space Hn in terms of θ functions of the positions zi of n solitons. The wrapping around the torus generates the algebra An, which is the Zn × Zn Heisenberg group on θ functions. We find the generators g of a local elliptic su(n), which transform covariantly by the global gauge transformation of An. By acting on Hn we establish the isomorphism of An and g. We embed this g into the L-matrix of the elliptic Gaudin and Calogero-Moser models to give the dynamics. The moment map of this twisted cotangent sunT) bundle is matched to the D-equation with the Fayet-Illiopoulos source term, so the dynamics of the noncommutative solitons become that of the brane. The geometric configuration (k, u) of the spectral curve det|L(u) - k| = 0 describes the brane configuration, with the dynamical variables zi of the noncommutative solitons as the moduli T⊗ n/Sn. Furthermore, in the noncommutative Chern-Simons theory for the quantum Hall effect, the constrain equation with quasiparticle source is identified also with the moment map equation of the noncommutative sunT cotangent bundle with marked points. The eigenfunction of the Gaudin differential L-operators as the Laughlin wave function is solved by Bethe ansatz.

Scalar products of Bethe vectors in models with {\\mathfrak{gl}}(2| 1) symmetry 1. Super-analog of Reshetikhin formula

NASA Astrophysics Data System (ADS)

Hutsalyuk, A.; Liashyk, A.; Pakuliak, S. Z.; Ragoucy, E.; Slavnov, N. A.

2016-11-01

We study the scalar products of Bethe vectors in integrable models solvable by the nested algebraic Bethe ansatz and possessing {gl}(2| 1) symmetry. Using explicit formulas of the monodromy matrix entries’ multiple actions onto Bethe vectors we obtain a representation for the scalar product in the most general case. This explicit representation appears to be a sum over partitions of the Bethe parameters. It can be used for the analysis of scalar products involving on-shell Bethe vectors. As a by-product, we obtain a determinant representation for the scalar products of generic Bethe vectors in integrable models with {gl}(1| 1) symmetry. Dedicated to the memory of Petr Petrovich Kulish.

An excess of massive stars in the local 30 Doradus starburst

NASA Astrophysics Data System (ADS)

Schneider, F. R. N.; Sana, H.; Evans, C. J.; Bestenlehner, J. M.; Castro, N.; Fossati, L.; Gräfener, G.; Langer, N.; Ramírez-Agudelo, O. H.; Sabín-Sanjulián, C.; Simón-Díaz, S.; Tramper, F.; Crowther, P. A.; de Koter, A.; de Mink, S. E.; Dufton, P. L.; Garcia, M.; Gieles, M.; Hénault-Brunet, V.; Herrero, A.; Izzard, R. G.; Kalari, V.; Lennon, D. J.; Maíz Apellániz, J.; Markova, N.; Najarro, F.; Podsiadlowski, Ph.; Puls, J.; Taylor, W. D.; van Loon, J. Th.; Vink, J. S.; Norman, C.

2018-01-01

The 30 Doradus star-forming region in the Large Magellanic Cloud is a nearby analog of large star-formation events in the distant universe. We determined the recent formation history and the initial mass function (IMF) of massive stars in 30 Doradus on the basis of spectroscopic observations of 247 stars more massive than 15 solar masses (M☉). The main episode of massive star formation began about 8 million years (My) ago, and the star-formation rate seems to have declined in the last 1 My. The IMF is densely sampled up to 200 M☉ and contains 32 ± 12% more stars above 30 M☉ than predicted by a standard Salpeter IMF. In the mass range of 15 to 200 M☉, the IMF power-law exponent is 1.90‑0.26+0.37, shallower than the Salpeter value of 2.35.

An excess of massive stars in the local 30 Doradus starburst.

PubMed

Schneider, F R N; Sana, H; Evans, C J; Bestenlehner, J M; Castro, N; Fossati, L; Gräfener, G; Langer, N; Ramírez-Agudelo, O H; Sabín-Sanjulián, C; Simón-Díaz, S; Tramper, F; Crowther, P A; de Koter, A; de Mink, S E; Dufton, P L; Garcia, M; Gieles, M; Hénault-Brunet, V; Herrero, A; Izzard, R G; Kalari, V; Lennon, D J; Maíz Apellániz, J; Markova, N; Najarro, F; Podsiadlowski, Ph; Puls, J; Taylor, W D; van Loon, J Th; Vink, J S; Norman, C

2018-01-05

The 30 Doradus star-forming region in the Large Magellanic Cloud is a nearby analog of large star-formation events in the distant universe. We determined the recent formation history and the initial mass function (IMF) of massive stars in 30 Doradus on the basis of spectroscopic observations of 247 stars more massive than 15 solar masses ([Formula: see text]). The main episode of massive star formation began about 8 million years (My) ago, and the star-formation rate seems to have declined in the last 1 My. The IMF is densely sampled up to 200 [Formula: see text] and contains 32 ± 12% more stars above 30 [Formula: see text] than predicted by a standard Salpeter IMF. In the mass range of 15 to 200 [Formula: see text], the IMF power-law exponent is [Formula: see text], shallower than the Salpeter value of 2.35. Copyright © 2018, American Association for the Advancement of Science.

A Study of THT Cold Cores Population in the Star-Forming Region in Serpens

NASA Astrophysics Data System (ADS)

Fiorellino, Eleonora

2017-11-01

The purpose of this work is to produce the Core Mass Function (CMF) of the Serpens star-forming region and confront it with the Initial Mass Function (IMF), the statistical distribution of initial star mass. As Testi & Sergent (1998) discovered, the power-law index of the slope of the CMF is very close to the one of the Salpeter's IMF (Salpeter, 1955): dN/dM / M2.35. This strongly suggests that the stellar IMF results from the fragmentation process in turbulent cloud cores rather than from stellar accretion mechanisms and gives a huge contribute to undestanding the star formation. For this work, we started from the data delivered by the European satellite Herschel and produced the maps of the Serpens with Unimap code (Piazzo et al, 2015). Hence we obtained a core catalogue with two different softwares getsources (Men'shchikov et al, 2012) and CuTEx (Molinari et al, 2011) and we eliminated from it any source that is not a core. A full discussion of the cores physical propreties as well as the whole region is under preparation.

Determinant representation of the domain-wall boundary condition partition function of a Richardson-Gaudin model containing one arbitrary spin

NASA Astrophysics Data System (ADS)

Faribault, Alexandre; Tschirhart, Hugo; Muller, Nicolas

2016-05-01

In this work we present a determinant expression for the domain-wall boundary condition partition function of rational (XXX) Richardson-Gaudin models which, in addition to N-1 spins \\frac{1}{2}, contains one arbitrarily large spin S. The proposed determinant representation is written in terms of a set of variables which, from previous work, are known to define eigenstates of the quantum integrable models belonging to this class as solutions to quadratic Bethe equations. Such a determinant can be useful numerically since systems of quadratic equations are much simpler to solve than the usual highly nonlinear Bethe equations. It can therefore offer significant gains in stability and computation speed.

Hans Bethe, Powering the Stars, and Nuclear Physics

Science.gov Websites

dropdown arrow Site Map A-Z Index Menu Synopsis Hans Bethe, Energy Production in Stars, and Nuclear Physics physics, built atomic weapons, and called for a halt to their proliferation. Bethe's dual legacy is one of Laboratory] from 1943 to 1946. Prior to joining the Manhattan Project, Bethe taught physics at Cornell

Prediction of a two-dimensional S3N2 solid for optoelectronic applications

NASA Astrophysics Data System (ADS)

Xiao, Hang; Shi, Xiaoyang; Liao, Xiangbiao; Zhang, Yayun; Chen, Xi

2018-02-01

Two-dimensional materials have attracted tremendous attention for their fascinating electronic, optical, chemical, and mechanical properties. However, the band gaps of most reported two-dimensional (2D) materials are smaller than 2.0 eV, which has greatly restricted their optoelectronic applications in the blue and ultraviolet range of the spectrum. Here, we propose a stable trisulfur dinitride (S3N2 ) 2D crystal that is a covalent network composed solely of S-N σ bonds. The S3N2 crystal is dynamically, thermally, and chemically stable, as confirmed by the computed phonon spectrum and ab initio molecular dynamics simulations. GW calculations show that the S3N2 crystal is a wide, direct band-gap (3.92 eV) semiconductor with a small-hole effective mass. In addition, the band gap of S3N2 structures can be tuned by forming multilayer S3N2 crystals, S3N2 nanoribbons, and S3N2 nanotubes, expanding its potential applications. The anisotropic optical response of the 2D S3N2 crystal is revealed by GW-Bethe-Salpeter-equation calculations. The optical band gap of S3N2 is 2.73 eV and the exciton binding energy of S3N2 is 1.19 eV, showing a strong excitonic effect. Our result not only marks the prediction of a 2D crystal composed of nitrogen and sulfur, but also underpins potential innovations in 2D electronics and optoelectronics.

Existence of diproton-like particles in 3+1 lattice QCD with two flavors and strong coupling

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

Faria da Veiga, Paulo A.; O'Carroll, Michael; Neto, A. Francisco

2011-02-01

Starting from quarks, gluons, and their dynamics, we consider the existence of two-baryon bound states of total isospin I=1 in an imaginary-time formulation of a strongly coupled 3+1-dimensional SU(3){sub c} lattice QCD with two flavors and 4x4 spin matrices, defined using the Wilson action. For a small hopping parameter {kappa}>0 and a much smaller gauge coupling 0<{beta}<<{kappa}<<1 (heavy quarks and large glueball mass), using a ladder approximation to a lattice Bethe-Salpeter equation, diproton-like bound states are found in the I=1 isospin sector, with asymptotic masses -6ln{kappa} and binding energies of order {kappa}{sup 2}. By isospin symmetry, for each diproton theremore » is also a dineutron bound state with the same mass and binding energy. The dominant two-baryon interaction is an energy-independent spatial range-one potential with an O({kappa}{sup 2}) strength. There is also an attraction arising from gauge field correlations associated with six overlapping bonds, but it is subdominant. The overall range-one potential results from a quark-antiquark exchange with no meson exchange interpretation (wrong spin indices). The repulsive or attractive nature of the interaction does depend on the isospin and spin of the two-baryon states. A novel representation in term of permanents is obtained for the spin, isospin interaction between the baryons, which is valid for any isospin sector.« less

Symmetry breaking and excitonic effects on optical properties of defective nanographenes

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

Noguchi, Yoshifumi, E-mail: y.noguchi@issp.u-tokyo.ac.jp; Sugino, Osamu

2015-02-14

We investigate optical properties of the nanographene family and predict a defect induced effect by utilizing the all-electron first-principles GW+Bethe-Salpeter equation (BSE) method based on the many-body perturbation theory. As an accuracy check of the GW+BSE, photoabsorption spectra are calculated for a grossly warped nanographene (C{sub 80}H{sub 30}), which was very recently synthesized [Kawasumi et al., Nat. Chem. 5, 739–744 (2013)]. The calculated spectra are found to faithfully reproduce the shape, height, and position of the measured peaks. Then the method is applied to the flat nanographene without defect (C{sub 24}H{sub 12} and C{sub 38}H{sub 16}), the curved ones withmore » single defect (C{sub 20}H{sub 10}, C{sub 28}H{sub 14}, and C{sub 32}H{sub 16}), and fragments of C{sub 80}H{sub 30} with double defect (C{sub 36}H{sub 16} and C{sub 42}H{sub 20}). The existence of the defects significantly changes the optical spectra. In particular, the interaction between the defects is found to break the symmetry of the atomic geometries and enhance the excitonic effect, thereby generating the extra peaks at the lower photon energy side of the main peak. The present results might help explain the origin of the first two peaks experimentally observed for C{sub 80}H{sub 30}.« less

Far-from-Equilibrium Field Theory of Many-Body Quantum Spin Systems: Prethermalization and Relaxation of Spin Spiral States in Three Dimensions

NASA Astrophysics Data System (ADS)

Babadi, Mehrtash; Demler, Eugene; Knap, Michael

2015-10-01

We study theoretically the far-from-equilibrium relaxation dynamics of spin spiral states in the three-dimensional isotropic Heisenberg model. The investigated problem serves as an archetype for understanding quantum dynamics of isolated many-body systems in the vicinity of a spontaneously broken continuous symmetry. We present a field-theoretical formalism that systematically improves on the mean field for describing the real-time quantum dynamics of generic spin-1 /2 systems. This is achieved by mapping spins to Majorana fermions followed by a 1 /N expansion of the resulting two-particle-irreducible effective action. Our analysis reveals rich fluctuation-induced relaxation dynamics in the unitary evolution of spin spiral states. In particular, we find the sudden appearance of long-lived prethermalized plateaus with diverging lifetimes as the spiral winding is tuned toward the thermodynamically stable ferro- or antiferromagnetic phases. The emerging prethermalized states are characterized by different bosonic modes being thermally populated at different effective temperatures and by a hierarchical relaxation process reminiscent of glassy systems. Spin-spin correlators found by solving the nonequilibrium Bethe-Salpeter equation provide further insight into the dynamic formation of correlations, the fate of unstable collective modes, and the emergence of fluctuation-dissipation relations. Our predictions can be verified experimentally using recent realizations of spin spiral states with ultracold atoms in a quantum gas microscope [S. Hild et al., Phys. Rev. Lett. 113, 147205 (2014), 10.1103/PhysRevLett.113.147205].

Topics in Bethe Ansatz

NASA Astrophysics Data System (ADS)

Wang, Chunguang

Integrable quantum spin chains have close connections to integrable quantum field. theories, modern condensed matter physics, string and Yang-Mills theories. Bethe. ansatz is one of the most important approaches for solving quantum integrable spin. chains. At the heart of the algebraic structure of integrable quantum spin chains is. the quantum Yang-Baxter equation and the boundary Yang-Baxter equation. This. thesis focuses on four topics in Bethe ansatz. The Bethe equations for the isotropic periodic spin-1/2 Heisenberg chain with N. sites have solutions containing ±i/2 that are singular: both the corresponding energy and the algebraic Bethe ansatz vector are divergent. Such solutions must be carefully regularized. We consider a regularization involving a parameter that can be. determined using a generalization of the Bethe equations. These generalized Bethe. equations provide a practical way of determining which singular solutions correspond. to eigenvectors of the model. The Bethe equations for the periodic XXX and XXZ spin chains admit singular. solutions, for which the corresponding eigenvalues and eigenvectors are ill-defined. We use a twist regularization to derive conditions for such singular solutions to bephysical, in which case they correspond to genuine eigenvalues and eigenvectors of. the Hamiltonian. We analyze the ground state of the open spin-1/2 isotropic quantum spin chain. with a non-diagonal boundary term using a recently proposed Bethe ansatz solution. As the coefficient of the non-diagonal boundary term tends to zero, the Bethe roots. split evenly into two sets: those that remain finite, and those that become infinite. We. argue that the former satisfy conventional Bethe equations, while the latter satisfy a. generalization of the Richardson-Gaudin equations. We derive an expression for the. leading correction to the boundary energy in terms of the boundary parameters. We argue that the Hamiltonians for A(2) 2n open quantum spin chains corresponding. to two choices of integrable boundary conditions have the symmetries Uq(Bn) and. Uq(Cn), respectively. The deformation of Cn is novel, with a nonstandard coproduct. We find a formula for the Dynkin labels of the Bethe states (which determine the degeneracies of the corresponding eigenvalues) in terms of the numbers of Bethe roots of. each type. With the help of this formula, we verify numerically (for a generic value of. the anisotropy parameter) that the degeneracies and multiplicities of the spectra implied by the quantum group symmetries are completely described by the Bethe ansatz.

Optical and Transport Properties of Organic Molecules: Methods and Applications

NASA Astrophysics Data System (ADS)

Strubbe, David Alan

Organic molecules are versatile and tunable building blocks for technology, in nanoscale and bulk devices. In this dissertation, I will consider some important applications for organic molecules involving optical and transport properties, and develop methods and software appropriate for theoretical calculations of these properties. Specifically, we will consider second-harmonic generation, a nonlinear optical process; photoisomerization, in which absorption of light leads to mechanical motion; charge transport in junctions formed of single molecules; and optical excitations in pentacene, an organic semiconductor with applications in photovoltaics, optoelectronics, and flexible electronics. In the Introduction (Chapter 1), I will give an overview of some phenomenology about organic molecules and these application areas, and discuss the basics of the theoretical methodology I will use: density-functional theory (DFT), time-dependent density-functional theory (TDDFT), and many-body perturbation theory based on the GW approximation. In the subsequent chapters, I will further discuss, develop, and apply this methodology. 2. I will give a pedagogical derivation of the methods for calculating response properties in TDDFT, with particular focus on the Sternheimer equation, as will be used in subsequent chapters. I will review the many different response properties that can be calculated (dynamic and static) and the appropriate perturbations used to calculate them. 3. Standard techniques for calculating response use either integer occupations (as appropriate for a system with an energy gap) or fractional occupations due to a smearing function, used to improve convergence for metallic systems. I will present a generalization which can be used to compute response for a system with arbitrary fractional occupations. 4. Chloroform (CHCl3) is a small molecule commonly used as a solvent in measurements of nonlinear optics. I computed its hyperpolarizability for second-harmonic generation with TDDFT with a real-space grid, finding good agreement with calculations using localized bases and with experimental measurements, and that the response is very long-ranged in space. 5. N C 60 is an endohedral fullerene, a sphere of carbon containing a single N atom inside, which is weakly coupled electronically. I show with TDDFT calculations that a laser pulse can excite the vibrational mode of this N atom, transiently turning on and off the system's ability to undergo second-harmonic generation. The calculated susceptibility is as large as some commercially used frequency-doubling materials. 6. A crucial question in understanding experimental measurements of nonlinear optics and their relation to device performance is the effect of the solution environment on the properties of the isolated molecules. I will consider possible explanations for the large enhancement of the hyperpolarizability of chloroform in solution, demonstrate an ab initio method of calculating electrostatic effects with local-field factors, and derive the equations necessary for a full calculation of liquid chloroform. 7. Many-body perturbation theory, in the GW approximation for quasiparticle band-structure and Bethe-Salpeter equation for optical properties, is a powerful method for calculations in solids, nanostructures, and molecules. The BerkeleyGW code is a freely available implementation of this methodology which has been extensively tested and efficiently parallelized for use on large systems. 8. Molecular junctions, in which a single molecule is contacted to two metallic leads, are interesting systems for studying nanoscale transport. I will present a method called DFT+Sigma which approximates many-body perturbation theory to enable accurate and efficient calculations of the conductance of these systems. 9. Azobenzene is a molecule with the unusual property that it can switch reversible between two different geometries, cis and trans, upon absorption of light. I have calculated the structures of these two forms when absorbed on the Au(111) surface, to understand scanning tunneling microscope studies and elucidate the switching mechanism on the surface. I have also calculated the conductance of the two forms in a molecular junction. 10. The Seebeck and Peltier thermoelectric effects can interconvert electricity and heat, and are parametrized by the Seebeck coefficient. Standard methods in quantum transport for computing this quantity are problematic numerically. I will show this fact in a simple model and derive a more robust and efficient approach. 11. Pentacene is an organic semiconductor which shows exciton self-trapping in its optical spectra. I will present a method for calculation of excited-state forces with the Bethe-Salpeter equation that can be applied to study the geometrical relaxation that occurs upon absorption of light by pentacene.

Algebraic geometry and Bethe ansatz. Part I. The quotient ring for BAE

NASA Astrophysics Data System (ADS)

Jiang, Yunfeng; Zhang, Yang

2018-03-01

In this paper and upcoming ones, we initiate a systematic study of Bethe ansatz equations for integrable models by modern computational algebraic geometry. We show that algebraic geometry provides a natural mathematical language and powerful tools for understanding the structure of solution space of Bethe ansatz equations. In particular, we find novel efficient methods to count the number of solutions of Bethe ansatz equations based on Gröbner basis and quotient ring. We also develop analytical approach based on companion matrix to perform the sum of on-shell quantities over all physical solutions without solving Bethe ansatz equations explicitly. To demonstrate the power of our method, we revisit the completeness problem of Bethe ansatz of Heisenberg spin chain, and calculate the sum rules of OPE coefficients in planar N=4 super-Yang-Mills theory.

Exact diffusion constant in a lattice-gas wind-tree model on a Bethe lattice

NASA Astrophysics Data System (ADS)

Zhang, Guihua; Percus, J. K.

1992-02-01

Kong and Cohen [Phys. Rev. B 40, 4838 (1989)] obtained the diffusion constant of a lattice-gas wind-tree model in the Boltzmann approximation. The result is consistent with computer simulations for low tree concentration. In this Brief Report we find the exact diffusion constant of the model on a Bethe lattice, which turns out to be identical with the Kong-Cohen and Gunn-Ortuño results. Our interpretation is that the Boltzmann approximation is exact for this type of diffusion on a Bethe lattice in the same sense that the Bethe-Peierls approximation is exact for the Ising model on a Bethe lattice.

Roothaan approach in the thermodynamic limit

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

Gutierrez, G.; Plastino, A.

1982-02-01

A systematic method for the solution of the Hartree-Fock equations in the thermodynamic limit is presented. The approach is seen to be a natural extension of the one usually employed in the finite-fermion case, i.e., that developed by Roothaan. The new techniques developed here are applied, as an example, to neutron matter, employing the so-called V/sub 1/ Bethe homework potential. The results obtained are, by far, superior to those that the ordinary plane-wave Hartree-Fock theory yields.

Where are the roots of the Bethe Ansatz equations?

NASA Astrophysics Data System (ADS)

Vieira, R. S.; Lima-Santos, A.

2015-10-01

Changing the variables in the Bethe Ansatz Equations (BAE) for the XXZ six-vertex model we had obtained a coupled system of polynomial equations. This provided a direct link between the BAE deduced from the Algebraic Bethe Ansatz (ABA) and the BAE arising from the Coordinate Bethe Ansatz (CBA). For two magnon states this polynomial system could be decoupled and the solutions given in terms of the roots of some self-inversive polynomials. From theorems concerning the distribution of the roots of self-inversive polynomials we made a thorough analysis of the two magnon states, which allowed us to find the location and multiplicity of the Bethe roots in the complex plane, to discuss the completeness and singularities of Bethe's equations, the ill-founded string-hypothesis concerning the location of their roots, as well as to find an interesting connection between the BAE with Salem's polynomials.

ZFIRE: using Hα equivalent widths to investigate the in situ initial mass function at z ˜ 2

NASA Astrophysics Data System (ADS)

Nanayakkara, Themiya; Glazebrook, Karl; Kacprzak, Glenn G.; Yuan, Tiantian; Fisher, David; Tran, Kim-Vy; Kewley, Lisa J.; Spitler, Lee; Alcorn, Leo; Cowley, Michael; Labbe, Ivo; Straatman, Caroline; Tomczak, Adam

2017-07-01

We use the ZFIRE (http://zfire.swinburne.edu.au) survey to investigate the high-mass slope of the initial mass function (IMF) for a mass-complete (log_{10({M}_*/M_{⊙})˜ 9.3}) sample of 102 star-forming galaxies at z ˜ 2 using their Hα equivalent widths (Hα EWs) and rest-frame optical colours. We compare dust-corrected Hα EW distributions with predictions of star formation histories (SFHs) from pegase.2 and starburst synthetic stellar population models. We find an excess of high Hα EW galaxies that are up to 0.3-0.5 dex above the model-predicted Salpeter IMF locus and the Hα EW distribution is much broader (10-500 Å) than can easily be explained by a simple monotonic SFH with a standard Salpeter-slope IMF. Though this discrepancy is somewhat alleviated when it is assumed that there is no relative attenuation difference between stars and nebular lines, the result is robust against observational biases, and no single IMF (I.e. non-Salpeter slope) can reproduce the data. We show using both spectral stacking and Monte Carlo simulations that starbursts cannot explain the EW distribution. We investigate other physical mechanisms including models with variations in stellar rotation, binary star evolution, metallicity and the IMF upper-mass cut-off. IMF variations and/or highly rotating extreme metal-poor stars (Z ˜ 0.1 Z⊙) with binary interactions are the most plausible explanations for our data. If the IMF varies, then the highest Hα EWs would require very shallow slopes (Γ > -1.0) with no one slope able to reproduce the data. Thus, the IMF would have to vary stochastically. We conclude that the stellar populations at z ≳ 2 show distinct differences from local populations and there is no simple physical model to explain the large variation in Hα EWs at z ˜ 2.

A tale of two Bethe ansätze

NASA Astrophysics Data System (ADS)

Lima-Santos, Antonio; Nepomechie, Rafael I.; Pimenta, Rodrigo A.

2018-04-01

We revisit the construction of the eigenvectors of the single and double-row transfer matrices associated with the Zamolodchikov–Fateev model, within the algebraic Bethe ansatz method. The left and right eigenvectors are constructed using two different methods: the fusion technique and Tarasov’s construction. A simple explicit relation between the eigenvectors from the two Bethe ansätze is obtained. As a consequence, we obtain the Slavnov formula for the scalar product between on-shell and off-shell Tarasov–Bethe vectors.

Coherent-Anomaly Method in Critical Phenomena. IV. Study of the Wave-Number-Dependent Susceptibility in the 2D Ising Model

NASA Astrophysics Data System (ADS)

Hu, Xiao; Suzuki, Masuo

1988-03-01

The systematic Weiss-like and Bethe-like approximations based on the mean-field transfer-matrix method are used to investigate the asymptotic behavior of the induced magnetization on a semi-infinite square lattice, and to investigate the wave-number dependence of the susceptibility in a nonuniform external field. The critical exponents ν, ν', ηi and η are estimated following the general CAM prescription. A new scaling relation ν{\\cdot}ηi{=}β is obtained in the framework of the finite-degree-of-approximation scaling. Together with previous papers, all the static critical exponents have been estimated by the CAM, and are shown to satisfy the well-known scaling relations.

On Condensation Properties of Bethe Roots Associated with the XXZ Chain

NASA Astrophysics Data System (ADS)

Kozlowski, Karol K.

2018-02-01

I prove that the Bethe roots describing either the ground state or a certain class of "particle-hole" excited states of the XXZ spin-1/2 chain in any sector with magnetisation m \\in [0;1/2] exist, are uniquely defined, and form, in the infinite volume limit, a dense distribution on a subinterval of R. The results hold for any value of the anisotropy {Δ ≥ -1}. In fact, I establish an even stronger result, namely the existence of an all order asymptotic expansion of the counting function associated with such roots. As a corollary, these results allow one to prove the existence and form of the infinite volume limit of various observables attached to the model -the excitation energy, momentum, the zero temperature correlation functions, so as to name a few- that were argued earlier in the literature.

Mayer-cluster expansion of instanton partition functions and thermodynamic bethe ansatz

NASA Astrophysics Data System (ADS)

Meneghelli, Carlo; Yang, Gang

2014-05-01

In [19] Nekrasov and Shatashvili pointed out that the = 2 instanton partition function in a special limit of the Ω-deformation parameters is characterized by certain thermodynamic Bethe ansatz (TBA) like equations. In this work we present an explicit derivation of this fact as well as generalizations to quiver gauge theories. To do so we combine various techniques like the iterated Mayer expansion, the method of expansion by regions, and the path integral tricks for non-perturbative summation. The TBA equations derived entirely within gauge theory have been proposed to encode the spectrum of a large class of quantum integrable systems. We hope that the derivation presented in this paper elucidates further this completely new point of view on the origin, as well as on the structure, of TBA equations in integrable models.

Algebraic Bethe ansatz for U(1) invariant integrable models: Compact and non-compact applications

NASA Astrophysics Data System (ADS)

Martins, M. J.; Melo, C. S.

2009-10-01

We apply the algebraic Bethe ansatz developed in our previous paper [C.S. Melo, M.J. Martins, Nucl. Phys. B 806 (2009) 567] to three different families of U(1) integrable vertex models with arbitrary N bond states. These statistical mechanics systems are based on the higher spin representations of the quantum group U[SU(2)] for both generic and non-generic values of q as well as on the non-compact discrete representation of the SL(2,R) algebra. We present for all these models the explicit expressions for both the on-shell and the off-shell properties associated to the respective transfer matrices eigenvalue problems. The amplitudes governing the vectors not parallel to the Bethe states are shown to factorize in terms of elementary building blocks functions. The results for the non-compact SL(2,R) model are argued to be derived from those obtained for the compact systems by taking suitable N→∞ limits. This permits us to study the properties of the non-compact SL(2,R) model starting from systems with finite degrees of freedom.

Introduction to the thermodynamic Bethe ansatz

NASA Astrophysics Data System (ADS)

van Tongeren, Stijn J.

2016-08-01

We give a pedagogical introduction to the thermodynamic Bethe ansatz, a method that allows us to describe the thermodynamics of integrable models whose spectrum is found via the (asymptotic) Bethe ansatz. We set the stage by deriving the Fermi-Dirac distribution and associated free energy of free electrons, and then in a similar though technically more complicated fashion treat the thermodynamics of integrable models, focusing first on the one-dimensional Bose gas with delta function interaction as a clean pedagogical example, secondly the XXX spin chain as an elementary (lattice) model with prototypical complicating features in the form of bound states, and finally the {SU}(2) chiral Gross-Neveu model as a field theory example. Throughout this discussion we emphasize the central role of particle and hole densities, whose relations determine the model under consideration. We then discuss tricks that allow us to use the same methods to describe the exact spectra of integrable field theories on a circle, in particular the chiral Gross-Neveu model. We moreover discuss the simplification of TBA equations to Y systems, including the transition back to integral equations given sufficient analyticity data, in simple examples.

Quantizing the Toda lattice

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

Siddharthan, R.; Shastry, B.S.

In this work we study the quantum Toda lattice, developing the asymptotic Bethe ansatz method first used by Sutherland. Despite its known limitations we find, on comparing with Gutzwiller{close_quote}s exact method, that it works well in this particular problem and in fact becomes exact as {h_bar} grows large. We calculate ground state and excitation energies for finite-sized lattices, identify excitations as phonons and solitons on the basis of their quantum numbers, and find their dispersions. These are similar to the classical dispersions for small {h_bar}, and remain similar all the way up to {h_bar}=1, but then deviate substantially as wemore » go farther into the quantum regime. On comparing the sound velocities for various {h_bar} obtained thus with that predicted by conformal theory we conclude that the Bethe ansatz gives the energies per particle accurate to O(1/N{sup 2}). On that assumption we can find correlation functions. Thus the Bethe ansatz method can be used to yield much more than the thermodynamic properties which previous authors have calculated. {copyright} {ital 1997} {ital The American Physical Society}« less

Converting from 3.6 and 4.5 μm Fluxes to Stellar Mass

NASA Astrophysics Data System (ADS)

Eskew, Michael; Zaritsky, Dennis; Meidt, Sharon

2012-06-01

We use high spatial resolution maps of stellar mass and infrared flux of the Large Magellanic Cloud (LMC) to calibrate a conversion between 3.6 and 4.5 μm fluxes and stellar mass, M * = 105.65 F 2.85 3.6 F -1.85 4.5(D/0.05)2 M ⊙, where fluxes are in Jy and D is the luminosity distance to the source in Mpc, and to provide an approximate empirical estimate of the fractional internal uncertainty in M * of 0.3\\sqrt{N/10^6}, where N is the number of stars in the region. We find evidence that young stars and hot dust contaminate the measurements, but attempts to remove this contamination using data that are far superior to what are generally available for unresolved galaxies resulted in marginal gains in accuracy. The scatter among mass estimates for regions in the LMC is comparable to that found by previous investigators when modeling composite populations, and so we conclude that our simple conversion is as precise as possible for the data and models currently available. Our results allow for a reasonably bottom-heavy initial mass function, such as Salpeter or heavier, and moderately disfavor lighter versions such as a diet-Salpeter or Chabrier initial mass function.

Spin Hartree-Fock approach to studying quantum Heisenberg antiferromagnets in low dimensions

NASA Astrophysics Data System (ADS)

Werth, A.; Kopietz, P.; Tsyplyatyev, O.

2018-05-01

We construct a new mean-field theory for a quantum (spin-1/2) Heisenberg antiferromagnet in one (1D) and two (2D) dimensions using a Hartree-Fock decoupling of the four-point correlation functions. We show that the solution to the self-consistency equations based on two-point correlation functions does not produce any unphysical finite-temperature phase transition, in accord with the Mermin-Wagner theorem, unlike the common approach based on the mean-field equation for the order parameter. The next-neighbor spin-spin correlation functions, calculated within this approach, reproduce closely the strong renormalization by quantum fluctuations obtained via a Bethe ansatz in 1D and a small renormalization of the classical antiferromagnetic state in 2D. The heat capacity approximates with reasonable accuracy the full Bethe ansatz result at all temperatures in 1D. In 2D, we obtain a reduction of the peak height in the heat capacity at a finite temperature that is accessible by high-order 1 /T expansions.

Bethe Ansatz for the Weakly Asymmetric Simple Exclusion Process and Phase Transition in the Current Distribution

NASA Astrophysics Data System (ADS)

Simon, Damien

2011-03-01

The probability distribution of the current in the asymmetric simple exclusion process is expected to undergo a phase transition in the regime of weak asymmetry of the jumping rates. This transition was first predicted by Bodineau and Derrida using a linear stability analysis of the hydrodynamical limit of the process and further arguments have been given by Mallick and Prolhac. However it has been impossible so far to study what happens after the transition. The present paper presents an analysis of the large deviation function of the current on both sides of the transition from a Bethe Ansatz approach of the weak asymmetry regime of the exclusion process.

From ‘Nerve Fiber Regeneration’ to ‘Functional Changes’ in the Human Brain—On the Paradigm-Shifting Work of the Experimental Physiologist Albrecht Bethe (1872–1954) in Frankfurt am Main

PubMed Central

Stahnisch, Frank W.

2016-01-01

Until the beginning 1930’s the traditional dogma that the human central nervous system (CNS) did not possess any abilities to adapt functionally to degenerative processes and external injuries loomed large in the field of the brain sciences (Hirnforschung). Cutting-edge neuroanatomists, such as the luminary Wilhelm Waldeyer (1836–1921) in Germany or the Nobel Prize laureate Santiago Ramón y Cajal (1852–1934) in Spain, debated any regenerative and thus “plastic” properties in the human brain. A renewed interest arose in the scientific community to investigate the pathologies and the healing processes in the human CNS after the return of the high number of brain injured war veterans from the fronts during and after the First World War (1914–1918). A leading research center in this area was the “Institute for the Scientific Study of the Effects of Brain Injuries,” which the neurologist Ludwig Edinger (1855–1918) had founded shortly before the war. This article specifically deals with the physiological research on nerve fiber plasticity by Albrecht Bethe (1872–1954) at the respective institute of the University of Frankfurt am Main. Bethe conducted here his paradigmatic experimental studies on the pathophysiological and clinical phenomena of peripheral and CNS regeneration. PMID:26941616

Centenary Birth Anniversary of E. W. Beth (1908-1964)

ERIC Educational Resources Information Center

Bagni, Giorgio T.

2008-01-01

Evert Willem Beth (1908-1964) was a Dutch logician, mathematician and philosopher, whose work mainly concerned the foundations of mathematics. Beth was among the founders of the Commission Internationale pour l'Etude et l'Amelioration de l'Enseignement des Mathematiques and was a member of the Central Committee of the International Commission on…

Bethe vectors for XXX-spin chain

NASA Astrophysics Data System (ADS)

Burdík, Čestmír; Fuksa, Jan; Isaev, Alexei

2014-11-01

The paper deals with algebraic Bethe ansatz for XXX-spin chain. Generators of Yang-Baxter algebra are expressed in basis of free fermions and used to calculate explicit form of Bethe vectors. Their relation to N-component models is used to prove conjecture about their form in general. Some remarks on inhomogeneous XXX-spin chain are included.

Spherical Hecke algebra in the Nekrasov-Shatashvili limit

NASA Astrophysics Data System (ADS)

Bourgine, Jean-Emile

2015-01-01

The Spherical Hecke central (SHc) algebra has been shown to act on the Nekrasov instanton partition functions of gauge theories. Its presence accounts for both integrability and AGT correspondence. On the other hand, a specific limit of the Omega background, introduced by Nekrasov and Shatashvili (NS), leads to the appearance of TBA and Bethe like equations. To unify these two points of view, we study the NS limit of the SHc algebra. We provide an expression of the instanton partition function in terms of Bethe roots, and define a set of operators that generates infinitesimal variations of the roots. These operators obey the commutation relations defining the SHc algebra at first order in the equivariant parameter ɛ 2. Furthermore, their action on the bifundamental contributions reproduces the Kanno-Matsuo-Zhang transformation. We also discuss the connections with the Mayer cluster expansion approach that leads to TBA-like equations.

Discrete geometric analysis of message passing algorithm on graphs

NASA Astrophysics Data System (ADS)

Watanabe, Yusuke

2010-04-01

We often encounter probability distributions given as unnormalized products of non-negative functions. The factorization structures are represented by hypergraphs called factor graphs. Such distributions appear in various fields, including statistics, artificial intelligence, statistical physics, error correcting codes, etc. Given such a distribution, computations of marginal distributions and the normalization constant are often required. However, they are computationally intractable because of their computational costs. One successful approximation method is Loopy Belief Propagation (LBP) algorithm. The focus of this thesis is an analysis of the LBP algorithm. If the factor graph is a tree, i.e. having no cycle, the algorithm gives the exact quantities. If the factor graph has cycles, however, the LBP algorithm does not give exact results and possibly exhibits oscillatory and non-convergent behaviors. The thematic question of this thesis is "How the behaviors of the LBP algorithm are affected by the discrete geometry of the factor graph?" The primary contribution of this thesis is the discovery of a formula that establishes the relation between the LBP, the Bethe free energy and the graph zeta function. This formula provides new techniques for analysis of the LBP algorithm, connecting properties of the graph and of the LBP and the Bethe free energy. We demonstrate applications of the techniques to several problems including (non) convexity of the Bethe free energy, the uniqueness and stability of the LBP fixed point. We also discuss the loop series initiated by Chertkov and Chernyak. The loop series is a subgraph expansion of the normalization constant, or partition function, and reflects the graph geometry. We investigate theoretical natures of the series. Moreover, we show a partial connection between the loop series and the graph zeta function.

molgw 1: Many-body perturbation theory software for atoms, molecules, and clusters

DOE PAGES

Bruneval, Fabien; Rangel, Tonatiuh; Hamed, Samia M.; ...

2016-07-12

Here, we summarize the MOLGW code that implements density-functional theory and many-body perturbation theory in a Gaussian basis set. The code is dedicated to the calculation of the many-body self-energy within the GW approximation and the solution of the Bethe–Salpeter equation. These two types of calculations allow the user to evaluate physical quantities that can be compared to spectroscopic experiments. Quasiparticle energies, obtained through the calculation of the GW self-energy, can be compared to photoemission or transport experiments, and neutral excitation energies and oscillator strengths, obtained via solution of the Bethe–Salpeter equation, are measurable by optical absorption. The implementation choicesmore » outlined here have aimed at the accuracy and robustness of calculated quantities with respect to measurements. Furthermore, the algorithms implemented in MOLGW allow users to consider molecules or clusters containing up to 100 atoms with rather accurate basis sets, and to choose whether or not to apply the resolution-of-the-identity approximation. Finally, we demonstrate the parallelization efficacy of the MOLGW code over several hundreds of processors.« less

Algebraic tools for dealing with the atomic shell model. I. Wavefunctions and integrals for hydrogen-like ions

NASA Astrophysics Data System (ADS)

Surzhykov, Andrey; Koval, Peter; Fritzsche, Stephan

2005-01-01

Today, the 'hydrogen atom model' is known to play its role not only in teaching the basic elements of quantum mechanics but also for building up effective theories in atomic and molecular physics, quantum optics, plasma physics, or even in the design of semiconductor devices. Therefore, the analytical as well as numerical solutions of the hydrogen-like ions are frequently required both, for analyzing experimental data and for carrying out quite advanced theoretical studies. In order to support a fast and consistent access to these (Coulomb-field) solutions, here we present the DIRAC program which has been developed originally for studying the properties and dynamical behavior of the (hydrogen-like) ions. In the present version, a set of MAPLE procedures is provided for the Coulomb wave and Green's functions by applying the (wave) equations from both, the nonrelativistic and relativistic theory. Apart from the interactive access to these functions, moreover, a number of radial integrals are also implemented in the DIRAC program which may help the user to construct transition amplitudes and cross sections as they occur frequently in the theory of ion-atom and ion-photon collisions. Program summaryTitle of program:DIRAC Catalogue number: ADUQ Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADUQ Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: None Computer for which the program is designed and has been tested: All computers with a license of the computer algebra package MAPLE [1] Program language used: Maple 8 and 9 No. of lines in distributed program, including test data, etc.:2186 No. of bytes in distributed program, including test data, etc.: 162 591 Distribution format: tar gzip file CPC Program Library subprograms required: None Nature of the physical problem: Analytical solutions of the hydrogen atom are widely used in very different fields of physics [2,3]. Despite of the rather simple structure of the hydrogen-like ions, however, the underlying 'mathematics' is not always that easy to deal with. Apart from the well-known level structure of these ions as obtained from either the Schrödinger or Dirac equation, namely, a great deal of other properties are often needed. These properties are related to the interaction of bound electron(s) with external particles and fields and, hence, require to evaluate transition amplitudes, including wavefunctions and (transition) operators of quite different complexity. Although various special functions, such as the Laguerre polynomials, spherical harmonics, Whittaker functions, or the hypergeometric functions of various kinds can be used in most cases in order to express these amplitudes in a concise form, their derivation is time consuming and prone for making errors. In addition to their complexity, moreover, there exist a large number of mathematical relations among these functions which are difficult to remember in detail and which have often hampered quantitative studies in the past. Method of solution: A set of MAPLE procedures is developed which provides both the nonrelativistic and relativistic (analytical) solutions of the 'hydrogen atom model' and which facilitates the symbolic evaluation of various transition amplitudes. Restrictions onto the complexity of the problem: Over the past decades, a large number of representations have been worked out for the hydrogenic wave and Green's functions, using different variables and coordinates [2]. From these, the position-space representation in spherical coordinates is certainly of most practical interest and has been used as the basis of the present implementation. No attempt has been made by us so far to provide the wave and Green's functions also in momentum space, for which the relativistic momentum functions would have to be constructed numerically. Although the DIRAC program supports both symbolic and numerical computations, the latter one are based on MAPLE's standard software floating-point algorithms and on the (attempted) precision as defined by the global Digits variable. Although the default number, Digits = 10, appears sufficient for many computations, it often leads to a rather dramatic loss in the accuracy of the relativistic wave functions and integrals, mainly owing to MAPLE's imprecise internal evaluation of the corresponding special functions. Therefore, in order to avoid such computational difficulties, the Digits variable is set to 20 whenever the DIRAC program is (re-)loaded. Unusual features of the program: The DIRAC program has been designed for interactive work which, apart from the standard solutions and integrals of the hydrogen atom, also support the use of (approximate) semirelativistic wave functions for both, the bound- and continuum-states of the electron. To provide a fast and accurate access to a number of radial integrals which arise frequently in applications, the analytical expressions for these integrals have been implemented for the one-particle operators r, e, d/dr, j(kr) as well as for the (so-called) two-particle Slater integrals which are needed to describe the Coulomb repulsion among the electrons. Further procedures of the DIRAC program concern, for instance, the conversion of the physical results between different unit systems or for different sets of quantum numbers. A brief description of all procedures as available in the present version of the DIRAC program is given in the user manual Dirac-commands.pdf which is distributed together with the code. Typical running time: Although the program replies promptly on most requests, the running time also depends on the particular task. References: [1] Maple is a registered trademark of Waterloo Maple Inc. [2] H.A. Bethe and E.E. Salpeter, Quantum Mechanics of One- and Two-Electron Atoms, Springer, Berlin, 1957. [3] J. Eichler and W. Meyerhof, Relativistic Atomic Collisions, Academic Press, New York, 1995.

The X-Shooter Lens Survey - I. Dark matter domination and a Salpeter-type initial mass function in a massive early-type galaxy

NASA Astrophysics Data System (ADS)

Spiniello, C.; Koopmans, L. V. E.; Trager, S. C.; Czoske, O.; Treu, T.

2011-11-01

We present the first results from the X-Shooter Lens Survey: an analysis of the massive early-type galaxy SDSS J1148+1930 at redshift z= 0.444. We combine its extended kinematic profile - derived from spectra obtained with X-Shooter on the European Southern Observatory Very Large Telescope - with strong gravitational lensing and multicolour information derived from Sloan Digital Sky Survey (SDSS) images. Our main results are as follows. (i) The luminosity-weighted stellar velocity dispersion is <σ*>(≲Reff) = 352 ± 10 ± 16 km s-1, extracted from a rectangular aperture of 1.8 × 1.6 arcsec2 centred on the galaxy, more accurate and considerably lower than a previously published value of ˜450 km s-1. (ii) A single-component (stellar plus dark) mass model of the lens galaxy yields a logarithmic total-density slope of γ'= 1.72+0.05- 0.06 (68 per cent confidence level, CL; ?) within a projected radius of ˜2.16 arcsec. (iii) The projected stellar mass fraction, derived solely from the lensing and dynamical data, is f*(90 per cent CL and in some cases violate the total lensing-derived mass limit. We conclude that this very massive early-type galaxy is dark-matter-dominated inside one effective radius, consistent with the trend recently found from massive Sloan Lens ACS (SLACS) galaxies, with a total density slope shallower than isothermal and an IMF normalization consistent with Salpeter.

Remarks towards the spectrum of the Heisenberg spin chain type models

NASA Astrophysics Data System (ADS)

Burdík, Č.; Fuksa, J.; Isaev, A. P.; Krivonos, S. O.; Navrátil, O.

2015-05-01

The integrable close and open chain models can be formulated in terms of generators of the Hecke algebras. In this review paper, we describe in detail the Bethe ansatz for the XXX and the XXZ integrable close chain models. We find the Bethe vectors for two-component and inhomogeneous models. We also find the Bethe vectors for the fermionic realization of the integrable XXX and XXZ close chain models by means of the algebraic and coordinate Bethe ansatz. Special modification of the XXZ closed spin chain model ("small polaron model") is considered. Finally, we discuss some questions relating to the general open Hecke chain models.

Simulating the Generalized Gibbs Ensemble (GGE): A Hilbert space Monte Carlo approach

NASA Astrophysics Data System (ADS)

Alba, Vincenzo

By combining classical Monte Carlo and Bethe ansatz techniques we devise a numerical method to construct the Truncated Generalized Gibbs Ensemble (TGGE) for the spin-1/2 isotropic Heisenberg (XXX) chain. The key idea is to sample the Hilbert space of the model with the appropriate GGE probability measure. The method can be extended to other integrable systems, such as the Lieb-Liniger model. We benchmark the approach focusing on GGE expectation values of several local observables. As finite-size effects decay exponentially with system size, moderately large chains are sufficient to extract thermodynamic quantities. The Monte Carlo results are in agreement with both the Thermodynamic Bethe Ansatz (TBA) and the Quantum Transfer Matrix approach (QTM). Remarkably, it is possible to extract in a simple way the steady-state Bethe-Gaudin-Takahashi (BGT) roots distributions, which encode complete information about the GGE expectation values in the thermodynamic limit. Finally, it is straightforward to simulate extensions of the GGE, in which, besides the local integral of motion (local charges), one includes arbitrary functions of the BGT roots. As an example, we include in the GGE the first non-trivial quasi-local integral of motion.

The stellar initial mass function of early-type galaxies from low to high stellar velocity dispersion: homogeneous analysis of ATLAS3D and Sloan Lens ACS galaxies

NASA Astrophysics Data System (ADS)

Posacki, Silvia; Cappellari, Michele; Treu, Tommaso; Pellegrini, Silvia; Ciotti, Luca

2015-01-01

We present an investigation about the shape of the initial mass function (IMF) of early-type galaxies (ETGs), based on a joint lensing and dynamical analysis, and on stellar population synthesis models, for a sample of 55 lens ETGs identified by the Sloan Lens Advanced Camera for Surveys (SLACS). We construct axisymmetric dynamical models based on the Jeans equations which allow for orbital anisotropy and include a dark matter halo. The models reproduce in detail the observed Hubble Space Telescope photometry and are constrained by the total projected mass within the Einstein radius and the stellar velocity dispersion (σ) within the Sloan Digital Sky Survey fibres. Comparing the dynamically-derived stellar mass-to-light ratios (M*/L)dyn, obtained for an assumed halo slope ρh ∝ r-1, to the stellar population ones (M*/L)Salp, derived from full-spectrum fitting and assuming a Salpeter IMF, we infer the mass normalization of the IMF. Our results confirm the previous analysis by the SLACS team that the mass normalization of the IMF of high-σ galaxies is consistent on average with a Salpeter slope. Our study allows for a fully consistent study of the trend between IMF and σ for both the SLACS and atlas3D samples, which explore quite different σ ranges. The two samples are highly complementary, the first being essentially σ selected, and the latter volume-limited and nearly mass selected. We find that the two samples merge smoothly into a single trend of the form log α = (0.38 ± 0.04) × log (σe/200 km s-1) + ( - 0.06 ± 0.01), where α = (M*/L)dyn/(M*/L)Salp and σe is the luminosity averaged σ within one effective radius Re. This is consistent with a systematic variation of the IMF normalization from Kroupa to Salpeter in the interval σe ≈ 90-270 km s-1.

Flavour symmetry breaking in the kaon parton distribution amplitude

DOE PAGES

none,

2014-11-01

We compute the kaon's valence-quark (twist-two parton) distribution amplitude (PDA) by projecting its Poincaré-covariant Bethe–Salpeter wave-function onto the light-front. At a scale ζ = 2 GeV, the PDA is a broad, concave and asymmetric function, whose peak is shifted 12–16% away from its position in QCD's conformal limit. These features are a clear expression of SU(3)-flavour-symmetry breaking. They show that the heavier quark in the kaon carries more of the bound-state's momentum than the lighter quark and also that emergent phenomena in QCD modulate the magnitude of flavour-symmetry breaking: it is markedly smaller than one might expect based on themore » difference between light-quark current masses. Our results add to a body of evidence which indicates that at any energy scale accessible with existing or foreseeable facilities, a reliable guide to the interpretation of experiment requires the use of such nonperturbatively broadened PDAs in leading-order, leading-twist formulae for hard exclusive processes instead of the asymptotic PDA associated with QCD's conformal limit. We illustrate this via the ratio of kaon and pion electromagnetic form factors: using our nonperturbative PDAs in the appropriate formulae, F K/F π=1.23 at spacelike-Q 2=17 GeV 2, which compares satisfactorily with the value of 0.92(5) inferred in e +e - annihilation at s=17 GeV 2.« less

Brueckner-AMD Study of Light Nuclei

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

Kato, Kiyoshi; Yamamoto, Yuhei; Togashi, Tomoaki

2011-06-28

We applied the Brueckner theory to the Antisymmetrized Molecular Dynamics (AMD) and examined the reliability of the AMD calculations based on realistic nuclear interactions. In this method, the Bethe-Goldstone equation in the Brueckner theory is solved for every nucleon pair described by wave packets of AMD, and the G-matrix is calculated with single-particle orbits in AMD self-consistently. We apply this framework to not only {alpha}-nuclei but also N{ne}Z nuclei with A{approx}10. It is confirmed that these results present the description of reasonable cluster structures and energy-level schemes comparable with the experimental ones in light nuclei.

On the chiral covariant approach to ρρ scattering

NASA Astrophysics Data System (ADS)

Geng, Li-Sheng; Molina, Raquel; Oset, Eulogio

2017-12-01

We examine in detail a recent work (D. Gülmez, U. G. Meißner and J. A. Oller, Eur. Phys. J. C, 77: 460 (2017)), where improvements to make ρρ scattering relativistically covariant are made. The paper has the remarkable conclusion that the J=2 state disappears with a potential which is much more attractive than for J=0, where a bound state is found. We trace this abnormal conclusion to the fact that an “on-shell” factorization of the potential is done in a region where this potential is singular and develops a large discontinuous and unphysical imaginary part. A method is developed, evaluating the loops with full ρ propagators, and we show that they do not develop singularities and do not have an imaginary part below threshold. With this result for the loops we define an effective potential, which when used with the Bethe-Salpeter equation provides a state with J=2 around the energy of the f 2(1270). In addition, the coupling of the state to ρρ is evaluated and we find that this coupling and the T matrix around the energy of the bound state are remarkably similar to those obtained with a drastic approximation used previously, in which the q 2 terms of the propagators of the exchanged ρ mesons are dropped, once the cut-off in the ρρ loop function is tuned to reproduce the bound state at the same energy. Supported by National Natural Science Foundation of China (11375024, 11522539), the Spanish Ministerio de Economia y Competitividad and European FEDER funds (FIS2011-28853-C02-01, FIS2011- 28853-C02-02, FIS2014-57026-REDT, FIS2014-51948-C2- 1-P, FIS2014-51948-C2-2-P), the Generalitat Valenciana in the program Prometeo II-2014/068, We acknowledge the support of the European Community-Research Infrastructure Integrating Activity Study of Strongly Interacting Matter (acronym HadronPhysics3, Grant Agreement n. 283286) under the Seventh Framework Programme of the EU

Threshold singularities in a Fermi gas with attractive potential in one dimension

DOE PAGES

Schlottmann, P.; Zvyagin, A. A.

2015-01-15

We consider the one-dimensional gas of fermions with spin S interacting via an attractive δ-function potential using the Bethe Ansatz solution. In zero magnetic field the atoms form bound states of N=2S + 1 fermions, i.e. generalized Cooper states with each atom having a different spin component. For low energy excitations the system is a Luttinger liquid and is properly described by a conformal field theory with conformal charge c=1. The linear dispersion of a Luttinger liquid is asymptotically exact in the low-energy limit where the band curvature terms in the dispersion are irrelevant. For higher energy excitations, however, themore » spectral function displays deviations in the neighborhood of the single-particle (hole) energy, which can be described by an effective X-ray edge type model. Using the Bethe Ansatz solution we obtain expressions for the critical exponents for the single-particle (hole) Green’s function. This model can be relevant in the context of ultracold atoms with effective total spin S confined to an elongated optical trap.« less

Use of the Bethe equation for inner-shell ionization by electron impact

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

Powell, Cedric J.; Llovet, Xavier; Salvat, Francesc

2016-05-14

We analyzed calculated cross sections for K-, L-, and M-shell ionization by electron impact to determine the energy ranges over which these cross sections are consistent with the Bethe equation for inner-shell ionization. Our analysis was performed with K-shell ionization cross sections for 26 elements, with L-shell ionization cross sections for seven elements, L{sub 3}-subshell ionization cross sections for Xe, and M-shell ionization cross sections for three elements. The validity (or otherwise) of the Bethe equation could be checked with Fano plots based on a linearized form of the Bethe equation. Our Fano plots, which display theoretical cross sections andmore » available measured cross sections, reveal two linear regions as predicted by de Heer and Inokuti [in Electron Impact Ionization, edited by T. D. Märk and G. H. Dunn, (Springer-Verlag, Vienna, 1985), Chap. 7, pp. 232–276]. For each region, we made linear fits and determined values of the two element-specific Bethe parameters. We found systematic variations of these parameters with atomic number for both the low- and the high-energy linear regions of the Fano plots. We also determined the energy ranges over which the Bethe equation can be used.« less

Mutual capture of dipolar molecules at low and very low energies. I. Approximate analytical treatment.

PubMed

Nikitin, E E; Troe, J

2010-09-16

Approximate analytical expressions are derived for the low-energy rate coefficients of capture of two identical dipolar polarizable rigid rotors in their lowest nonresonant (j(1) = 0 and j(2) = 0) and resonant (j(1) = 0,1 and j(2) = 1,0) states. The considered range extends from the quantum, ultralow energy regime, characterized by s-wave capture, to the classical regime described within fly wheel and adiabatic channel approaches, respectively. This is illustrated by the table of contents graphic (available on the Web) that shows the scaled rate coefficients for the mutual capture of rotors in the resonant state versus the reduced wave vector between the Bethe zero-energy (left arrows) and classical high-energy (right arrow) limits for different ratios δ of the dipole-dipole to dispersion interaction.

Nonvariational calculation of the relativistic, finite-size, and QED corrections for the 2 1S excited state of the helium atom

NASA Astrophysics Data System (ADS)

Haftel, M. I.; Mandelzweig, V. B.

1994-05-01

Relativistic and QED corrections are calculated by using a direct solution of the Schrödinger equation for the 2 1S excited state of the helium atom obtained with the correlation-function hyperspherical-harmonic method. Our extremely accurate nonvariational results for relativistic, QED, and finite-size corrections coincide exactly (up to 0.000 03 cm-1) with the values obtained in precision variational calculations of Drake [Nucl. Instrum. Methods Phys. Res. B 5, 2207 (1988)] and Baker, Hill, and Morgan [in Relativistic, Quantum Electrodynamic and Weak Interaction Effects in Atoms, edited by Walter Johnson, Peter Mohr, and Joseph Sucher, AIP Conf. Proc. No. 189 (AIP, New York, 1989), p. 123] for both infinite and finite nuclear masses. This confirms that a discrepancy of 0.0033 cm-1 between theory and experiment is not a result of an inaccuracy of variational wave functions, but is rooted in our inadequate knowledge of the QED operators. A better understanding of the different QED contributions to the operators (such as, for example, a more precise estimate of the Bethe logarithm) is therefore needed to explain the discrepancy.

Recent Progress in GW-based Methods for Excited-State Calculations of Reduced Dimensional Systems

NASA Astrophysics Data System (ADS)

da Jornada, Felipe H.

2015-03-01

Ab initio calculations of excited-state phenomena within the GW and GW-Bethe-Salpeter equation (GW-BSE) approaches allow one to accurately study the electronic and optical properties of various materials, including systems with reduced dimensionality. However, several challenges arise when dealing with complicated nanostructures where the electronic screening is strongly spatially and directionally dependent. In this talk, we discuss some recent developments to address these issues. First, we turn to the slow convergence of quasiparticle energies and exciton binding energies with respect to k-point sampling. This is very effectively dealt with using a new hybrid sampling scheme, which results in savings of several orders of magnitude in computation time. A new ab initio method is also developed to incorporate substrate screening into GW and GW-BSE calculations. These two methods have been applied to mono- and few-layer MoSe2, and yielded strong environmental dependent behaviors in good agreement with experiment. Other issues that arise in confined systems and materials with reduced dimensionality, such as the effect of the Tamm-Dancoff approximation to GW-BSE, and the calculation of non-radiative exciton lifetime, are also addressed. These developments have been efficiently implemented and successfully applied to real systems in an ab initio framework using the BerkeleyGW package. I would like to acknowledge collaborations with Diana Y. Qiu, Steven G. Louie, Meiyue Shao, Chao Yang, and the experimental groups of M. Crommie and F. Wang. This work was supported by Department of Energy under Contract No. DE-AC02-05CH11231 and by National Science Foundation under Grant No. DMR10-1006184.

Algebraic Bethe ansatz for the two species ASEP with different hopping rates

NASA Astrophysics Data System (ADS)

Cantini, Luigi

2008-03-01

An ASEP with two species of particles and different hopping rates is considered on a ring. Its integrability is proved, and the nested algebraic Bethe ansatz is used to derive the Bethe equations for states with arbitrary numbers of particles of each type, generalizing the results of Derrida and Evans [10]. We also present formulae for the total velocity of particles of a given type and their limit given the large size of the system and the finite densities of the particles.

Black Hole Formation and Fallback during the Supernova Explosion of a 40 M ⊙ Star

NASA Astrophysics Data System (ADS)

Chan, Conrad; Müller, Bernhard; Heger, Alexander; Pakmor, Rüdiger; Springel, Volker

2018-01-01

Fallback in core-collapse supernovae is considered a major ingredient for explaining abundance anomalies in metal-poor stars and the natal kicks and spins of black holes (BHs). We present a first 3D simulation of BH formation and fallback in an “aborted” neutrino-driven explosion of a 40 solar mass zero-metallicity progenitor from collapse to shock breakout. We follow the phase up to BH formation using the relativistic COCONUT-FMT code. For the subsequent evolution to shock breakout we apply the moving-mesh code AREPO to core-collapse supernovae for the first time. Our simulation shows that despite early BH formation, neutrino-heated bubbles can survive for tens of seconds before being accreted, leaving them sufficient time to transfer part of their energy to sustain the shock wave as is propagates through the envelope. Although the initial net energy (∼2 Bethe) of the neutrino-heated ejecta barely equals the binding energy of the envelope, 11 {M}ȯ of hydrogen are still expelled with an energy of 0.23 Bethe. We find no significant mixing and only a modest BH kick and spin, but speculate that stronger effects could occur for slightly more energetic explosions or progenitors with less tightly bound envelopes.

Probing ionization potential, electron affinity and self-energy effect on the spectral shape and exciton binding energy of quantum liquid water with self-consistent many-body perturbation theory and the Bethe–Salpeter equation

NASA Astrophysics Data System (ADS)

Ziaei, Vafa; Bredow, Thomas

2018-05-01

An accurate theoretical prediction of ionization potential (IP) and electron affinity (EA) is key in understanding complex photochemical processes in aqueous environments. There have been numerous efforts in literature to accurately predict IP and EA of liquid water, however with often conflicting results depending on the level of theory and the underlying water structures. In a recent study based on hybrid-non-self-consistent many-body perturbation theory (MBPT) Gaiduk et al (2018 Nat. Commun. 9 247) predicted an IP of 10.2 eV and EA of 0.2 eV, resulting in an electronic band gap (i.e. electronic gap (IP-EA) as measured by photoelectron spectroscopy) of about 10 eV, redefining the widely cited experimental gap of 8.7 eV in literature. In the present work, we show that GW self-consistency and an implicit vertex correction in MBPT considerably affect recently reported EA values by Gaiduk et al (2018 Nat. Commun. 9 247) by about 1 eV. Furthermore, the choice of pseudo-potential is critical for an accurate determination of the absolute band positions. Consequently, the self-consistent GW approach with an implicit vertex correction based on projector augmented wave (PAW) method on top of quantum water structures predicts an IP of 10.2, an EA of 1.1, a fundamental gap of 9.1 eV and an exciton binding (Eb) energy of 0.9 eV for the first absorption band of liquid water via the Bethe–Salpeter equation (BSE). Only within such a self-consistent approach a simultanously accurate prediction of IP, EA, Eg, Eb is possible.

A Riemann-Hilbert formulation for the finite temperature Hubbard model

NASA Astrophysics Data System (ADS)

Cavaglià, Andrea; Cornagliotto, Martina; Mattelliano, Massimo; Tateo, Roberto

2015-06-01

Inspired by recent results in the context of AdS/CFT integrability, we reconsider the Thermodynamic Bethe Ansatz equations describing the 1D fermionic Hubbard model at finite temperature. We prove that the infinite set of TBA equations are equivalent to a simple nonlinear Riemann-Hilbert problem for a finite number of unknown functions. The latter can be transformed into a set of three coupled nonlinear integral equations defined over a finite support, which can be easily solved numerically. We discuss the emergence of an exact Bethe Ansatz and the link between the TBA approach and the results by Jüttner, Klümper and Suzuki based on the Quantum Transfer Matrix method. We also comment on the analytic continuation mechanism leading to excited states and on the mirror equations describing the finite-size Hubbard model with twisted boundary conditions.

Cyclotomic Gaudin Models: Construction and Bethe Ansatz

NASA Astrophysics Data System (ADS)

Vicedo, Benoît; Young, Charles

2016-05-01

To any finite-dimensional simple Lie algebra g and automorphism {σ: gto g we associate a cyclotomic Gaudin algebra. This is a large commutative subalgebra of {U(g)^{⊗ N}} generated by a hierarchy of cyclotomic Gaudin Hamiltonians. It reduces to the Gaudin algebra in the special case {σ =id}. We go on to construct joint eigenvectors and their eigenvalues for this hierarchy of cyclotomic Gaudin Hamiltonians, in the case of a spin chain consisting of a tensor product of Verma modules. To do so we generalize an approach to the Bethe ansatz due to Feigin, Frenkel and Reshetikhin involving vertex algebras and the Wakimoto construction. As part of this construction, we make use of a theorem concerning cyclotomic coinvariants, which we prove in a companion paper. As a byproduct, we obtain a cyclotomic generalization of the Schechtman-Varchenko formula for the weight function.

Bethe ansatz for two-magnon scattering states in 2D and 3D Heisenberg–Ising ferromagnets

NASA Astrophysics Data System (ADS)

Bibikov, P. N.

2018-04-01

Two different versions of Bethe ansatz are suggested for evaluation of scattering two-magnon states in 2D and 3D Heisenberg–Ising ferromagnets on square and simple cubic lattices. It is shown that the two-magnon sector is subdivided on two subsectors related to non-interacting and scattering magnons. The former subsector possess an integrable regular dynamics and may be described by a natural modification of the usual Bethe Ansatz. The latter one is characterized by a non-integrable chaotic dynamics and may be treated only within discrete degenerative version of Bethe Ansatz previously suggested by the author. Some of these results are generalized for multi-magnon states of the Heisenberg–Ising ferromagnet on a D dimensional hyper cubic lattice. Dedicated to the memory of L D Faddeev.

Degeneration of Bethe subalgebras in the Yangian of gl_n

NASA Astrophysics Data System (ADS)

Ilin, Aleksei; Rybnikov, Leonid

2018-04-01

We study degenerations of Bethe subalgebras B( C) in the Yangian Y(gl_n), where C is a regular diagonal matrix. We show that closure of the parameter space of the family of Bethe subalgebras, which parameterizes all possible degenerations, is the Deligne-Mumford moduli space of stable rational curves \\overline{M_{0,n+2}}. All subalgebras corresponding to the points of \\overline{M_{0,n+2}} are free and maximal commutative. We describe explicitly the "simplest" degenerations and show that every degeneration is the composition of the simplest ones. The Deligne-Mumford space \\overline{M_{0,n+2}} generalizes to other root systems as some De Concini-Procesi resolution of some toric variety. We state a conjecture generalizing our results to Bethe subalgebras in the Yangian of arbitrary simple Lie algebra in terms of this De Concini-Procesi resolution.

Coherent-Anomaly Method in Critical Phenomena. IV.

NASA Astrophysics Data System (ADS)

Hu, Xiao; Suzuki, Masuo

The systematic Weiss-like and Bethe-like approximations based on the mean-field transfer-matrix method are used to investigate the asymptotic behavior of the induced magnetization on a semi-infinite square lattice, and to investigate the wave-number dependence of the susceptibility in a nonuniform external field. The critical exponents ν, ν', ηi and η are estimated following the general CAM prescription. A new scaling relation ν·ηi=β is obtained in the framework of the finite-degree-of-approximation scaling. Together with previous papers, all the static critical exponents have been estimated by the CAM, and are shown to satisfy the well-known scaling relations.

Integrals of motion from quantum toroidal algebras

NASA Astrophysics Data System (ADS)

Feigin, B.; Jimbo, M.; Mukhin, E.

2017-11-01

We identify the Taylor coefficients of the transfer matrices corresponding to quantum toroidal algebras with the elliptic local and non-local integrals of motion introduced by Kojima, Shiraishi, Watanabe, and one of the authors. That allows us to prove the Litvinov conjectures on the Intermediate Long Wave model. We also discuss the ({gl_m, {gl_n) duality of XXZ models in quantum toroidal setting and the implications for the quantum KdV model. In particular, we conjecture that the spectrum of non-local integrals of motion of Bazhanov, Lukyanov, and Zamolodchikov is described by Gaudin Bethe ansatz equations associated to affine {sl}2 . Dedicated to the memory of Petr Petrovich Kulish.

Regge trajectories for heavy quarkonia from the quadratic form of the spinless Salpeter-type equation

NASA Astrophysics Data System (ADS)

Chen, Jiao-Kai

2018-03-01

In this paper, we present one new form of the Regge trajectories for heavy quarkonia which is obtained from the quadratic form of the spinless Salpeter-type equation (QSSE) by employing the Bohr-Sommerfeld quantization approach. The obtained Regge trajectories take the parameterized form M^2={β }({c_l}l+{π }n_r+c_0)^{2/3}+c_1, which are different from the present Regge trajectories. Then we apply the obtained Regge trajectories to fit the spectra of charmonia and bottomonia. The fitted Regge trajectories are in good agreement with the experimental data and the theoretical predictions.

In Memoriam: Hans Bethe

NASA Astrophysics Data System (ADS)

Garwin, Richard L.; Von Hippel, Frank

Hans Bethe, who died on March 6 at the age of 98, was exemplary as a scientist; a citizen-advocate seeking to stem the arms race; and an individual of warmth, generosity, tenacity, and modest habits. Bethe made major contributions to several areas of physics during his academic career. He earned a Nobel Prize in 1967 for his research into how the sun generates its energy by converting hydrogen to helium using carbon as a nuclear catalyst. A few years later, he made central contributions to the secret US World War II nuclear-weapon development programs (the "Manhattan Project").

Clinical trials of boron neutron capture therapy [in humans] [at Beth Israel Deaconess Medical Center][at Brookhaven National Laboratory

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

Wallace, Christine

2001-05-29

Assessment of research records of Boron Neutron Capture Therapy was conducted at Brookhaven National Laboratory and Beth Israel Deaconess Medical Center using the Code of Federal Regulations, FDA Regulations and Good Clinical Practice Guidelines. Clinical data were collected from subjects' research charts, and differences in conduct of studies at both centers were examined. Records maintained at Brookhaven National Laboratory were not in compliance with regulatory standards. Beth Israel's records followed federal regulations. Deficiencies discovered at both sites are discussed in the reports.

Stellar mass spectrum within massive collapsing clumps. I. Influence of the initial conditions

NASA Astrophysics Data System (ADS)

Lee, Yueh-Ning; Hennebelle, Patrick

2018-04-01

Context. Stars constitute the building blocks of our Universe, and their formation is an astrophysical problem of great importance. Aim. We aim to understand the fragmentation of massive molecular star-forming clumps and the effect of initial conditions, namely the density and the level of turbulence, on the resulting distribution of stars. For this purpose, we conduct numerical experiments in which we systematically vary the initial density over four orders of magnitude and the turbulent velocity over a factor ten. In a companion paper, we investigate the dependence of this distribution on the gas thermodynamics. Methods: We performed a series of hydrodynamical numerical simulations using adaptive mesh refinement, with special attention to numerical convergence. We also adapted an existing analytical model to the case of collapsing clouds by employing a density probability distribution function (PDF) ∝ρ-1.5 instead of a lognormal distribution. Results: Simulations and analytical model both show two support regimes, a thermally dominated regime and a turbulence-dominated regime. For the first regime, we infer that dN/d logM ∝ M0, while for the second regime, we obtain dN/d logM ∝ M-3/4. This is valid up to about ten times the mass of the first Larson core, as explained in the companion paper, leading to a peak of the mass spectrum at 0.2 M⊙. From this point, the mass spectrum decreases with decreasing mass except for the most diffuse clouds, where disk fragmentation leads to the formation of objects down to the mass of the first Larson core, that is, to a few 10-2 M⊙. Conclusions: Although the mass spectra we obtain for the most compact clouds qualitatively resemble the observed initial mass function, the distribution exponent is shallower than the expected Salpeter exponent of - 1.35. Nonetheless, we observe a possible transition toward a slightly steeper value that is broadly compatible with the Salpeter exponent for masses above a few solar masses. This change in behavior is associated with the change in density PDF, which switches from a power-law to a lognormal distribution. Our results suggest that while gravitationally induced fragmentation could play an important role for low masses, it is likely the turbulently induced fragmentation that leads to the Salpeter exponent.

A calibration of the stellar mass fundamental plane at z ∼ 0.5 using the micro-lensing-induced flux ratio anomalies of macro-lensed quasars {sup ,} {sup ,}

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

Schechter, Paul L.; Pooley, David; Blackburne, Jeffrey A.

2014-10-01

We measure the stellar mass surface densities of early-type galaxies by observing the micro-lensing of macro-lensed quasars caused by individual stars, including stellar remnants, brown dwarfs, and red dwarfs too faint to produce photometric or spectroscopic signatures. Instead of observing multiple micro-lensing events in a single system, we combine single-epoch X-ray snapshots of 10 quadruple systems, and compare the measured relative magnifications for the images with those computed from macro-models. We use these to normalize a stellar mass fundamental plane constructed using a Salpeter initial mass function with a low-mass cutoff of 0.1 M {sub ☉} and treat the zeropointmore » of the surface mass density as a free parameter. Our method measures the graininess of the gravitational potential produced by individual stars, in contrast to methods that decompose a smooth total gravitational potential into two smooth components, one stellar and one dark. We find the median likelihood value for the normalization factor F by which the Salpeter stellar masses must be multiplied is 1.23, with a one sigma confidence range, dominated by small number statistics, of 0.77« less

Observing stellar mass and supermassive black holes

NASA Astrophysics Data System (ADS)

Cherepashchuk, A. M.

2016-07-01

During the last 50 years, great progress has been made in observing stellar-mass black holes (BHs) in binary systems and supermassive BHs in galactic nuclei. In 1964, Zeldovich and Salpeter showed that in the case of nonspherical accretion of matter onto a BH, huge energy releases occur. The theory of disk accretion of matter onto BHs was developed in 1972-1973 by Shakura and Sunyaev, Pringle and Rees, and Novikov and Thorne. Up to now, 100 years after the creation of Albert Einstein's General Theory of Relativity, which predicts the existence of BHs, the masses of tens of stellar-mass BHs ( M_BH=(4-35) M_⊙) and many hundreds of supermassive BHs ( M_BH=(10^6-1010) M_⊙) have been determined. A new field of astrophysics, so-called BH demography, is developing. The recent discovery of gravitational waves from BH mergers in binary systems opens a new era in BH studies.

Boundary Quantum Knizhnik-Zamolodchikov Equations and Bethe Vectors

NASA Astrophysics Data System (ADS)

Reshetikhin, Nicolai; Stokman, Jasper; Vlaar, Bart

2015-06-01

Solutions to boundary quantum Knizhnik-Zamolodchikov equations are constructed as bilateral sums involving "off-shell" Bethe vectors in case the reflection matrix is diagonal and only the 2-dimensional representation of is involved. We also consider their rational and classical degenerations.

Height probabilities in the Abelian sandpile model on the generalized finite Bethe lattice

NASA Astrophysics Data System (ADS)

Chen, Haiyan; Zhang, Fuji

2013-08-01

In this paper, we study the sandpile model on the generalized finite Bethe lattice with a particular boundary condition. Using a combinatorial method, we give the exact expressions for all single-site probabilities and some two-site joint probabilities. As a by-product, we prove that the height probabilities of bulk vertices are all the same for the Bethe lattice with certain given boundary condition, which was found from numerical evidence by Grassberger and Manna ["Some more sandpiles," J. Phys. (France) 51, 1077-1098 (1990)], 10.1051/jphys:0199000510110107700 but without a proof.

Spin Bose-metal phase in a spin- (1)/(2) model with ring exchange on a two-leg triangular strip

NASA Astrophysics Data System (ADS)

Sheng, D. N.; Motrunich, Olexei I.; Fisher, Matthew P. A.

2009-05-01

Recent experiments on triangular lattice organic Mott insulators have found evidence for a two-dimensional (2D) spin liquid in close proximity to the metal-insulator transition. A Gutzwiller wave function study of the triangular lattice Heisenberg model with a four-spin ring exchange term appropriate in this regime has found that the projected spinon Fermi sea state has a low variational energy. This wave function, together with a slave particle-gauge theory analysis, suggests that this putative spin liquid possesses spin correlations that are singular along surfaces in momentum space, i.e., “Bose surfaces.” Signatures of this state, which we will refer to as a “spin Bose metal” (SBM), are expected to manifest in quasi-one-dimensional (quasi-1D) ladder systems: the discrete transverse momenta cut through the 2D Bose surface leading to a distinct pattern of 1D gapless modes. Here, we search for a quasi-1D descendant of the triangular lattice SBM state by exploring the Heisenberg plus ring model on a two-leg triangular strip (zigzag chain). Using density matrix renormalization group (DMRG) supplemented by variational wave functions and a bosonization analysis, we map out the full phase diagram. In the absence of ring exchange the model is equivalent to the J1-J2 Heisenberg chain, and we find the expected Bethe-chain and dimerized phases. Remarkably, moderate ring exchange reveals a new gapless phase over a large swath of the phase diagram. Spin and dimer correlations possess singular wave vectors at particular “Bose points” (remnants of the 2D Bose surface) and allow us to identify this phase as the hoped for quasi-1D descendant of the triangular lattice SBM state. We use bosonization to derive a low-energy effective theory for the zigzag spin Bose metal and find three gapless modes and one Luttinger parameter controlling all power law correlations. Potential instabilities out of the zigzag SBM give rise to other interesting phases such as a period-3 valence bond solid or a period-4 chirality order, which we discover in the DMRG. Another interesting instability is into a spin Bose-metal phase with partial ferromagnetism (spin polarization of one spinon band), which we also find numerically using the DMRG.

Quantum group symmetries and completeness for \\boldsymbol {A}_{\\boldsymbol {2n}}^{\\boldsymbol{(2)}} open spin chains

NASA Astrophysics Data System (ADS)

Ahmed, Ibrahim; Nepomechie, Rafael I.; Wang, Chunguang

2017-07-01

We argue that the Hamiltonians for A(2)2n open quantum spin chains corresponding to two choices of integrable boundary conditions have the symmetries Uq(Bn) and Uq(Cn) , respectively. We find a formula for the Dynkin labels of the Bethe states (which determine the degeneracies of the corresponding eigenvalues) in terms of the numbers of Bethe roots of each type. With the help of this formula, we verify numerically (for a generic value of the anisotropy parameter) that the degeneracies and multiplicities of the spectra implied by the quantum group symmetries are completely described by the Bethe ansatz.

Combinatorics of Generalized Bethe Equations

NASA Astrophysics Data System (ADS)

Kozlowski, Karol K.; Sklyanin, Evgeny K.

2013-10-01

A generalization of the Bethe ansatz equations is studied, where a scalar two-particle S-matrix has several zeroes and poles in the complex plane, as opposed to the ordinary single pole/zero case. For the repulsive case (no complex roots), the main result is the enumeration of all distinct solutions to the Bethe equations in terms of the Fuss-Catalan numbers. Two new combinatorial interpretations of the Fuss-Catalan and related numbers are obtained. On the one hand, they count regular orbits of the permutation group in certain factor modules over {{Z}^M}, and on the other hand, they count integer points in certain M-dimensional polytopes.

Beth Reis and the Safe Schools Coalition

ERIC Educational Resources Information Center

Vaught, Sabina E.

2007-01-01

This article chronicles the formation and organization of the Safe Schools Coalition (SCC) through the experiences of Beth Reis, co-founder and co-Chair. The article suggests ways in which the SCC can serve as a model for both collective and individual work in promoting safe schools.

Review of “orthopaedic biomechanics” edited by Beth A. Winkelstein

PubMed Central

2013-01-01

This article is a review of the book “orthopaedic biomechanics” edited by Beth A. Winkelstein. This book (hardcover) was published by CRC Press, Taylor & Francis Group, FL in 2012. The contents of the book and its relevance to orthopedic research or practice is discussed in this invited review.

String Theory Methods for Condensed Matter Physics

NASA Astrophysics Data System (ADS)

Nastase, Horatiu

2017-09-01

Preface; Acknowledgments; Introduction; Part I. Condensed Matter Models and Problems: 1. Lightning review of statistical mechanics, thermodynamics, phases and phase transitions; 2. Magnetism in solids; 3. Electrons in solids: Fermi gas vs. Fermi liquid; 4. Bosonic quasi-particles: phonons and plasmons; 5. Spin-charge separation in 1+1 dimensional solids: spinons and holons; 6. The Ising model and the Heisenberg spin chain; 7. Spin chains and integrable systems; 8. The thermodynamic Bethe ansatz; 9. Conformal field theories and quantum phase transitions; 10. Classical vs. quantum Hall effect; 11. Superconductivity: Landau-Ginzburg, London and BCS; 12. Topology and statistics: Berry and Chern-Simons, anyons and nonabelions; 13. Insulators; 14. The Kondo effect and the Kondo problem; 15. Hydrodynamics and transport properties: from Boltzmann to Navier-Stokes; Part II. Elements of General Relativity and String Theory: 16. The Einstein equation and the Schwarzschild solution; 17. The Reissner-Nordstrom and Kerr-Newman solutions and thermodynamic properties of black holes; 18. Extra dimensions and Kaluza-Klein; 19. Electromagnetism and gravity in various dimensions. Consistent truncations; 20. Gravity plus matter: black holes and p-branes in various dimensions; 21. Weak/strong coupling dualities in 1+1, 2+1, 3+1 and d+1 dimensions; 22. The relativistic point particle and the relativistic string; 23. Lightcone strings and quantization; 24. D-branes and gauge fields; 25. Electromagnetic fields on D-branes. Supersymmetry and N = 4 SYM. T-duality of closed strings; 26. Dualities and M theory; 27. The AdS/CFT correspondence: definition and motivation; Part III. Applying String Theory to Condensed Matter Problems: 28. The pp wave correspondence: string Hamiltonian from N = 4 SYM; 29. Spin chains from N = 4 SYM; 30. The Bethe ansatz: Bethe strings from classical strings in AdS; 31. Integrability and AdS/CFT; 32. AdS/CFT phenomenology: Lifshitz, Galilean and Schrodinger symmetries and their gravity duals; 33. Finite temperature and black holes; 34. Hot plasma equilibrium thermodynamics: entropy, charge density and chemical potential of strongly coupled theories; 35. Spectral functions and transport properties; 36. Dynamic and nonequilibrium properties of plasmas: electric transport, Langevin diffusion and thermalization via black hole quasi-normal modes; 37. The holographic superconductor; 38. The fluid-gravity correspondence: conformal relativistic fluids from black hole horizons; 39. Nonrelativistic fluids: from Einstein to Navier-Stokes and back; Part IV. Advanced Applications: 40. Fermi gas and liquid in AdS/CFT; 41. Quantum Hall effect from string theory; 42. Quantum critical systems and AdS/CFT; 43. Particle-vortex duality and ABJM vs. AdS4 X CP3 duality; 44. Topology and non-standard statistics from AdS/CFT; 45. DBI scalar model for QGP/black hole hydro- and thermo-dynamics; 46. Holographic entanglement entropy in condensed matter; 47. Holographic insulators; 48. Holographic strange metals and the Kondo problem; References; Index.

Hospital CIO Explains Blockchain Potential: An Interview with Beth Israel Deaconess Medical Center's John Halamka.

PubMed

Mertz, Leslie

2018-01-01

Work is already underway to bring blockchain technology to the healthcare industry, and hospital administrators are trying to figure out what it can do for them, their clinicians, and their patients. That includes administrators at Beth Israel Deaconess Medical Center, a leading academic medical center located in Boston.

On quantum integrable models related to nonlinear quantum optics. An algebraic Bethe ansatz approach

NASA Astrophysics Data System (ADS)

Jurčo, Branislav

1989-08-01

A unified approach based on Bethe ansatz in a large variety of integrable models in quantum optics is given. Second harmonics generation, three-boson interaction, the Dicke model, and some cases of four-boson interaction as special cases of su(2)⊕su(1,1)-Gaudin models are included.

Twisting singular solutions of Betheʼs equations

NASA Astrophysics Data System (ADS)

Nepomechie, Rafael I.; Wang, Chunguang

2014-12-01

The Bethe equations for the periodic XXX and XXZ spin chains admit singular solutions, for which the corresponding eigenvalues and eigenvectors are ill-defined. We use a twist regularization to derive conditions for such singular solutions to be physical, in which case they correspond to genuine eigenvalues and eigenvectors of the Hamiltonian.

A generalized Uhlenbeck and Beth formula for the third cluster coefficient

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

Larsen, Sigurd Yves; Lassaut, Monique; Amaya-Tapia, Alejandro, E-mail: jano@icf.unam.mx

2016-11-15

Relatively recently (Amaya-Tapia et al., 2011), we presented a formula for the evaluation of the third Bose fugacity coefficient–leading to the third virial coefficient–in terms of three-body eigenphase shifts, for particles subject to repulsive forces. An analytical calculation for a 1-dim. model, for which the result is known, confirmed the validity of this approach. We now extend the formalism to particles with attractive forces, and therefore must allow for the possibility that the particles have bound states. We thus obtain a true generalization of the famous formula of Uhlenbeck and Beth (Uhlenbeck and Beth, 1936; Beth and Uhlenbeck, 1937) and ofmore » Gropper (Gropper, 1936, 1937) for the second virial. We illustrate our formalism by a calculation, in an adiabatic approximation, of the third cluster in one dimension, using McGuire’s model as in our previous paper, but with attractive forces. The inclusion of three-body bound states is trivial; taking into account states having asymptotically two particles bound, and one free, is not.« less

Dynamics of Fermionic Impurity in One Dimension

NASA Astrophysics Data System (ADS)

Guan, Huijie; Andrei, Natan

2014-03-01

We study the dynamics of a fermionic impurity propagating in a one dimensional infinite line. The system is described by the Gaudin-Yang Model and is exactly solvable by the Nested Bethe Ansatz. Starting from a generic initial state, we obtain the time evolution of the wavefunction by the Yudson Approach in which we expand the initial state with the Nested Bethe Ansatz solutions. One situation that we are interested in is where, initially, the impurity is embedded in host fermions with a lattice configuration and one remove the periodic potential at time zero. We calculate the density profile and correlation functions at a later time. Another situation is to shoot an impurity into a cloud of fermions and calculate the probability for it to pass through. While the repulsive case has been studied already[1], we extend it to the attractive case and study the role of bound states in the evolution. We are also interested in boson impurity problem, where not only impurity interacts with host particles, all host particles interact with each other.

Application of ab initio many-body perturbation theory with Gaussian basis sets to the singlet and triplet excitations of organic molecules

NASA Astrophysics Data System (ADS)

Hamed, Samia; Rangel, Tonatiuh; Bruneval, Fabien; Neaton, Jeffrey B.

Quantitative understanding of charged and neutral excitations of organic molecules is critical in diverse areas of study that include astrophysics and the development of energy technologies that are clean and efficient. The recent use of local basis sets with ab initio many-body perturbation theory in the GW approximation and the Bethe-Saltpeter equation approach (BSE), methods traditionally applied to periodic condensed phases with a plane-wave basis, has opened the door to detailed study of such excitations for molecules, as well as accurate numerical benchmarks. Here, through a series of systematic benchmarks with a Gaussian basis, we report on the extent to which the predictive power and utility of this approach depend critically on interdependent underlying approximations and choices for molecules, including the mean-field starting point (eg optimally-tuned range separated hybrids, pure DFT functionals, and untuned hybrids), the GW scheme, and the Tamm Dancoff approximation. We demonstrate the effects of these choices in the context of Thiels' set while drawing analogies to linear-response time-dependent DFT and making comparisons to best theoretical estimates from higher-order wavefunction-based theories.

Strong gravitational lensing and the stellar IMF of early-type galaxies

NASA Astrophysics Data System (ADS)

Leier, Dominik; Ferreras, Ignacio; Saha, Prasenjit; Charlot, Stéphane; Bruzual, Gustavo; La Barbera, Francesco

2016-07-01

Systematic variations of the initial mass function (IMF) in early-type galaxies, and their connection with possible drivers such as velocity dispersion or metallicity, have been much debated in recent years. Strong lensing over galaxy scales combined with photometric and spectroscopic data provides a powerful method to constrain the stellar mass-to-light ratio and hence the functional form of the IMF. We combine photometric and spectroscopic constraints from the latest set of population synthesis models of Charlot & Bruzual, including a varying IMF, with a non-parametric analysis of the lens masses of 18 ETGs from the SLACS survey, with velocity dispersions in the range 200-300 km s-1. We find that very bottom-heavy IMFs are excluded. However, the upper limit to the bimodal IMF slope (μ ≲ 2.2, accounting for a dark matter fraction of 20-30 per cent, where μ = 1.3 corresponds to a Kroupa-like IMF) is compatible at the 1σ level with constraints imposed by gravity-sensitive line strengths. A two-segment power-law parametrization of the IMF (Salpeter-like for high masses) is more constrained (Γ ≲ 1.5, where Γ is the power index at low masses) but requires a dark matter contribution of ≳25 per cent to reconcile the results with a Salpeter IMF. For a standard Milky Way-like IMF to be applicable, a significant dark matter contribution is required within 1Re. Our results reveal a large range of allowed IMF slopes, which, when interpreted as intrinsic scatter in the IMF properties of ETGs, could explain the recent results of Smith et al., who find Milky Way-like IMF normalizations in a few massive lensing ETGs.

Shared Information Framework and Technology (SHIFT) Handbook

DTIC Science & Technology

2009-02-01

field. Such a patchwork of separate systems neither improves information sharing nor guarantees the safety and security of communities and personnel in...analysis. In many organizations, security may not necessarily be the expertise of people working in the field, or security and safety issues may be...the safety and security of all crisis management personnel in crisis areas. Functioning information sharing between organisations improves situational

Functions Character

NASA Astrophysics Data System (ADS)

Dugave, Maxime; Göhmann, Frank; Kozlowski, Karol Kajetan

2014-04-01

We establish several properties of the solutions to the linear integral equations describing the infinite volume properties of the XXZ spin-1/2 chain in the disordered regime. In particular, we obtain lower and upper bounds for the dressed energy, dressed charge and density of Bethe roots. Furthermore, we establish that given a fixed external magnetic field (or a fixed magnetization) there exists a unique value of the boundary of the Fermi zone.

The Role of Protein Kinase D (PKD) Signaling in Breast Cancer Cell Migration and Invasion

DTIC Science & Technology

2010-09-01

CONTRACTING ORGANIZATION: Beth Israel Deaconess Med Center Boston, MA 02215...PERFORMING ORGANIZATION REPORT NUMBER Beth Israel Deaconess Medical Center Boston, MA 02215 9. SPONSORING / MONITORING AGENCY...species including fish , flies and worms (Figure 8A). A distinct putative PKD consensus phosphorylation motif on Rabaptin-5 is also found at Ser162

Log-gamma directed polymer with fixed endpoints via the replica Bethe Ansatz

NASA Astrophysics Data System (ADS)

Thiery, Thimothée; Le Doussal, Pierre

2014-10-01

We study the model of a discrete directed polymer (DP) on a square lattice with homogeneous inverse gamma distribution of site random Boltzmann weights, introduced by Seppalainen (2012 Ann. Probab. 40 19-73). The integer moments of the partition sum, \\overline{Z^n} , are studied using a transfer matrix formulation, which appears as a generalization of the Lieb-Liniger quantum mechanics of bosons to discrete time and space. In the present case of the inverse gamma distribution the model is integrable in terms of a coordinate Bethe Ansatz, as discovered by Brunet. Using the Brunet-Bethe eigenstates we obtain an exact expression for the integer moments of \\overline{Z^n} for polymers of arbitrary lengths and fixed endpoint positions. Although these moments do not exist for all integer n, we are nevertheless able to construct a generating function which reproduces all existing integer moments and which takes the form of a Fredholm determinant (FD). This suggests an analytic continuation via a Mellin-Barnes transform and we thereby propose a FD ansatz representation for the probability distribution function (PDF) of Z and its Laplace transform. In the limit of a very long DP, this ansatz yields that the distribution of the free energy converges to the Gaussian unitary ensemble (GUE) Tracy-Widom distribution up to a non-trivial average and variance that we calculate. Our asymptotic predictions coincide with a result by Borodin et al (2013 Commun. Math. Phys. 324 215-32) based on a formula obtained by Corwin et al (2011 arXiv:1110.3489) using the geometric Robinson-Schensted-Knuth (gRSK) correspondence. In addition we obtain the dependence on the endpoint position and the exact elastic coefficient at a large time. We argue the equivalence between our formula and that of Borodin et al. As we will discuss, this provides a connection between quantum integrability and tropical combinatorics.

Stennis Day Camper

NASA Technical Reports Server (NTRS)

2005-01-01

Sara Beth Casey, 5, proudly displays her artwork, 'Planets.' Sara Beth created the art as a student of Stennis Day Camp, a free camp for Stennis Space Center employees' children whose schools have not resumed since Hurricane Katrina hit the region on Aug. 29. The camp has registered nearly 200 children and averages 100 children each day. The camp will continue until all schools are back in session.

Stennis Day Camper

NASA Image and Video Library

2005-10-05

Sara Beth Casey, 5, proudly displays her artwork, 'Planets.' Sara Beth created the art as a student of Stennis Day Camp, a free camp for Stennis Space Center employees' children whose schools have not resumed since Hurricane Katrina hit the region on Aug. 29. The camp has registered nearly 200 children and averages 100 children each day. The camp will continue until all schools are back in session.

Hans Bethe's early life

NASA Astrophysics Data System (ADS)

Bernstein, Jeremy

2012-10-01

In 1937, two years after he moved to the US to escape Nazi persecution, the physicist Hans Bethe sent a letter to his mother in Germany. In it, he wrote, "I think I am about the leading theoretician in America. [Eugene] Wigner is certainly better and [Robert] Oppenheimer and [Edward] Teller probably just as good. But I do more and talk more and that counts too."

A Call to Action: JoBeth Allen, NCTE's 2012 Outstanding Educator in the Language Arts

ERIC Educational Resources Information Center

Tisdale, Carmen

2012-01-01

This article is a tribute to JoBeth Allen, recipient of the Elementary Section's 2012 award for Outstanding Educator in the English Language Arts. Each year, this award recognizes a distinguished educator who has made major contributions to the field of language arts in elementary education. This article was written by second-grade teacher and…

A Conversation with Hans Bethe

NASA Astrophysics Data System (ADS)

Goodstein, Judith

1999-10-01

A Nobel laureate in physics speaks candidly about C. C. Lauritsen, Robert Millikan, and a number of other prominent physicists he has known and worked with at Cornell University, the California Institute of Technology, and the University of Rome. Bethe also describes his first impressions of nuclear physics, the political climate in Italy in the 1930s, and the Rome school of physics.

Connecting and Collaborating within and beyond a Massive Open Online Course

ERIC Educational Resources Information Center

Pytash, Kristine E.; Hicks, Troy; Ferdig, Richard E.

2016-01-01

In this article, we draw on the experiences of two young adults, Beth and Jamie (pseudonyms), who participated in a connectivist Massive Open Online Course (cMOOC) to explore how adolescents can become active members in a community of learners and the digital literacy practices that support this entry. We argue that Beth and Jamie engaged in…

Evolution and stability of shock waves in dissipative gases characterized by activated inelastic collisions.

PubMed

Sirmas, N; Radulescu, M I

2015-02-01

Previous experiments have revealed that shock waves driven through dissipative gases may become unstable, for example, in granular gases and in molecular gases undergoing strong relaxation effects. The mechanisms controlling these instabilities are not well understood. We successfully isolated and investigated this instability in the canonical problem of piston-driven shock waves propagating into a medium characterized by inelastic collision processes. We treat the standard model of granular gases, where particle collisions are taken as inelastic, with a constant coefficient of restitution. The inelasticity is activated for sufficiently strong collisions. Molecular dynamic simulations were performed for 30,000 particles. We find that all shock waves investigated become unstable, with density nonuniformities forming in the relaxation region. The wavelength of these fingers is found to be comparable to the characteristic relaxation thickness. Shock Hugoniot curves for both elastic and inelastic collisions were obtained analytically and numerically. Analysis of these curves indicates that the instability is not of the Bethe-Zeldovich-Thompson or D'yakov-Kontorovich type. Analysis of the shock relaxation rates and rates for clustering in a convected fluid element with the same thermodynamic history ruled out the clustering instability of a homogeneous granular gas. Instead, wave reconstruction of the early transient evolution indicates that the onset of instability occurs during repressurization of the gas following the initial relaxation of the medium behind the lead shock. This repressurization gives rise to internal pressure waves in the presence of strong density gradients. This indicates that the mechanism of instability is more likely of the vorticity-generating Richtmyer-Meshkov type, relying on the action of the inner pressure wave development during the transient relaxation.

Random Blume-Emery-Griffiths model on the Bethe lattice

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2015-12-01

The random phase transitions of the Blume-Emery-Griffiths (BEG) model for the spin-1 system are investigated on the Bethe lattice and the phase diagrams of the model are obtained. The biquadratic exchange interaction (K) is turned on, i.e. the BEG model, with probability p either attractively (K > 0) or repulsively (K < 0) and turned off, which leads to the BC model, with the probability (1 - p) throughout the Bethe lattice. By taking the bilinear exchange interaction parameter J as a scaling parameter, the effects of the competitions between the reduced crystal fields (D / J), reduced biquadratic exchange interaction parameter (K / J) and the reduced temperature (kT / J) for given values of the probability when the coordination number is q=4, i.e. on a square lattice, are studied in detail.

Fast, Distributed Algorithms in Deep Networks

DTIC Science & Technology

2016-05-11

may not have realized how vital she was in making this project a reality is Professor Crainiceanu. Without knowing who you were, you invited me into...objective function. Training is complete when (2) converges, or stated alternatively , when the difference between t and φL can no longer be...the state-of-the art approaches simply rely on random initialization. We propose an alternative 10 (a) Features in 1-dimensional space (b) Features

Medical/Scientific Illustration And Production Of Otological Health Awareness Materials

NASA Technical Reports Server (NTRS)

Hawes, Nicholas E.

2004-01-01

Over the past year, I have worked for my mentor, Beth Cooper, on a large variety of projects. Beth is the Manager of the Acoustical Testing Laboratory, which tests the acoustical emissions of payloads destined for the International Space Station. She is also responsible for educating, and developing new methods of educating, people of all occupational and educational backgrounds in hearing conservation. Beth spends much of her time developing new materials and strategies with which to train people and teach other people to train people in hearing conservation and noise emissions control. I have been helping Beth develop and market these materials by way of graphic design and scientific illustration. Last summer, I spent much of my time creating educational illustrations that visually explained particular concepts in Beth's presentations. Sometimes these illustrations were small "comics" while, at other times, they were an instructional series of illustrations. Since then, Beth and her lab have been developing and updating some materials which will be distributed free to hearing conservation and noise control professionals and others in related fields. I have helped with these projects by designing their packaging. In each instance, it was my responsibility to develop an aesthetically appealing package that would also, through its imagery, describe or summarize the contents of the product. I did this for 3 CD's (Auditory Demonstrations 11, MACSUG, and JeopEARdy) and saw them through their actual production and distribution. In addition to working with Beth, I work with the Imaging Technology Center on various imaging projects. Some of my activities include photo retouching and manipulation for videos and print. This summer, I also had the opportunity to develop a screen saver that would show of some of the photography contained on the soon-to-be-released "Highlights of the GRC Image Archives, vol. 2". I was also able to utilize my medical training to help several of ITC s videographers identify the best histological examples of cancerous cells for incorporation in one of their videos. Over the last part of this summer and then throughout the school year, I will be working with Beth to develop a "pre-packaged" lecture series about the physics of acoustics in the context of hearing conservation. These lectures will be used to teach people of all backgrounds the fundamental concepts involved in acoustical physics so they might be better aware of their own and others auditory health in and out of the work place, and, in the case of payload developers, to design and build more quiet science experiments for the ISS. Even though it may not seem as such, this project is precisely what I am learning to do as a student of the Cleveland Institute of Art's Medical Illustration Department. From my perspective, this project is about taking technical information and translating it into terms that anyone, regardless of background, can understand.

Suppression of Vascular Growth in Breast Cancer.

DTIC Science & Technology

1995-10-01

Iruela-Arispe CONTRACTING ORGANIZATION: Beth Israel Hospital Boston, Massachusetts 02215 REPORT DATE: October 1995 TYPE OF REPORT: Annual PREPARED...ORGANIZATION NAME(S) AND ADDRESS(ES) Beth Israel Hospital Boston, Massachusetts 02215 8. PERFORMING ORGANIZATION REPORT NUMBER 9. SPONSORING...tsp/tsp") mice by mating of TSP1 knock-out homozygotes with mice carrying the MMTV c-neu transgene 2. Analysis of the vascular bed, as well as

Mapping Mammary Epithelial Cell Transformation in BRCA1 Mutant Mice

DTIC Science & Technology

2006-07-01

Transformation in BRCA1 Mutant Mice PRINCIPAL INVESTIGATOR: Gerburg M. Wulf CONTRACTING ORGANIZATION: Beth Israel Deaconess Medical...REPORT NUMBER Beth Israel Deaconess Medical Center Boston, MA 02215 9. SPONSORING / MONITORING AGENCY NAME(S) AND ADDRESS(ES...and whether it allowed us to analyze the early steps of tumor formation. For this purpose transgenic and conditional knock-out mice (mutant p53 or

Exact solution of the XXX Gaudin model with generic open boundaries

NASA Astrophysics Data System (ADS)

Hao, Kun; Cao, Junpeng; Yang, Tao; Yang, Wen-Li

2015-03-01

The XXX Gaudin model with generic integrable open boundaries specified by the most general non-diagonal reflecting matrices is studied. Besides the inhomogeneous parameters, the associated Gaudin operators have six free parameters which break the U(1) -symmetry. With the help of the off-diagonal Bethe ansatz, we successfully obtained the eigenvalues of these Gaudin operators and the corresponding Bethe ansatz equations.

[Carl Friedrich von Weizsäcker and the Bethe-Weizsäcker cycle].

PubMed

Wiescher, Michael

2014-01-01

The Carbon- or Bethe-Weizsäcker Cycle plays an important role in astrophysics as one of the most important energy sources for a quiescent and explosive hydrogen burning in stars. This paper presents the historical background and the contributions by Carl Friedrich von Weizsäcker and Hans Bethe who provided the first predictions of the cycle. Furthermore, it discussed the experimental verification of the predicted process in the following decades. Also discussed is the extension of the initial Carbon cycle to the CNO multi-cycles and the hot CNO cycles which followed from the detailed experimental studies of the associated nuclear reactions. Finally discussed is the impact of the experimental and theoretical results on our present understanding of hydrogen burning in different stellar environments and on our understanding of the chemical evolution of our universe.

Bethe/Gauge correspondence in odd dimension: modular double, non-perturbative corrections and open topological strings

NASA Astrophysics Data System (ADS)

Sciarappa, Antonio

2016-10-01

Bethe/Gauge correspondence as it is usually stated is ill-defined in five dimensions and needs a "non-perturbative" completion; a related problem also appears in three dimensions. It has been suggested that this problem, probably due to incompleteness of Omega background regularization in odd dimension, may be solved if we consider gauge theory on compact S 5 and S 3 geometries. We will develop this idea further by giving a full Bethe/Gauge correspondence dictionary on S 5 and S 3 focussing mainly on the eigenfunctions of (open and closed) relativistic 2-particle Toda chain and its quantized spectral curve: these are most properly written in terms of non-perturbatively completed NS open topological strings. A key ingredient is Faddeev's modular double structure which is naturally implemented by the S 5 and S 3 geometries.

Numerical renormalization group calculation of impurity internal energy and specific heat of quantum impurity models

NASA Astrophysics Data System (ADS)

Merker, L.; Costi, T. A.

2012-08-01

We introduce a method to obtain the specific heat of quantum impurity models via a direct calculation of the impurity internal energy requiring only the evaluation of local quantities within a single numerical renormalization group (NRG) calculation for the total system. For the Anderson impurity model we show that the impurity internal energy can be expressed as a sum of purely local static correlation functions and a term that involves also the impurity Green function. The temperature dependence of the latter can be neglected in many cases, thereby allowing the impurity specific heat Cimp to be calculated accurately from local static correlation functions; specifically via Cimp=(∂Eionic)/(∂T)+(1)/(2)(∂Ehyb)/(∂T), where Eionic and Ehyb are the energies of the (embedded) impurity and the hybridization energy, respectively. The term involving the Green function can also be evaluated in cases where its temperature dependence is non-negligible, adding an extra term to Cimp. For the nondegenerate Anderson impurity model, we show by comparison with exact Bethe ansatz calculations that the results recover accurately both the Kondo induced peak in the specific heat at low temperatures as well as the high-temperature peak due to the resonant level. The approach applies to multiorbital and multichannel Anderson impurity models with arbitrary local Coulomb interactions. An application to the Ohmic two-state system and the anisotropic Kondo model is also given, with comparisons to Bethe ansatz calculations. The approach could also be of interest within other impurity solvers, for example, within quantum Monte Carlo techniques.

A Demonstration to Assess Effectiveness, Suitability, and Survivability With the Missions and Means Framework

DTIC Science & Technology

2012-12-01

A Demonstration to Assess Effectiveness, Suitability, and Survivability With the Missions and Means Framework by Beth S . Ward, Paul J...Tanenbaum, Keon U. Burley, Paul H. Deitz, Britt E. Bray, Richard S . Sandmeyer, and Jack H. Sheehan ARL-TR-6271 December 2012...Demonstration to Assess Effectiveness, Suitability, and Survivability With the Missions and Means Framework Beth S . Ward, Paul J. Tanenbaum, and Keon U

APOL1 Oligomerization as the Key Mediator of Kidney Disease in African Americans

DTIC Science & Technology

2015-10-01

INVESTIGATOR: Dr. David Friedman CONTRACTING ORGANIZATION: Beth Israel Deaconess Medical Center Boston, MA 02215 REPORT DATE: October 2015 TYPE OF...ORGANIZATION REPORT NUMBER Beth Israel Deaconess Medical Center, 330 Brookline Avenue, Boston, MA 02215 9. SPONSORING / MONITORING AGENCY NAME(S) AND...different APOL1 genotype with interferon stimulation, then look for oligomer formation in our APOL1 transgenic zebrafish and mouse models, and lastly test

Slavnov and Gaudin-Korepin formulas for models without U (1) symmetry: the XXX chain on the segment

NASA Astrophysics Data System (ADS)

Belliard, S.; Pimenta, R. A.

2016-04-01

We consider the isotropic spin -\\frac{1}{2} Heisenberg chain with the most general integrable boundaries. The scalar product between the on-shell Bethe vector and its off-shell dual, obtained by means of the modified algebraic Bethe ansatz, is given by a modified Slavnov formula. The corresponding Gaudin-Korepin formula, i.e., the square of the norm, is also obtained.

Thermodynamic Bethe ansatz for non-equilibrium steady states: exact energy current and fluctuations in integrable QFT

NASA Astrophysics Data System (ADS)

Castro-Alvaredo, Olalla; Chen, Yixiong; Doyon, Benjamin; Hoogeveen, Marianne

2014-03-01

We evaluate the exact energy current and scaled cumulant generating function (related to the large-deviation function) in non-equilibrium steady states with energy flow, in any integrable model of relativistic quantum field theory (IQFT) with diagonal scattering. Our derivations are based on various recent results of Bernard and Doyon. The steady states are built by connecting homogeneously two infinite halves of the system thermalized at different temperatures Tl, Tr, and waiting for a long time. We evaluate the current J(Tl, Tr) using the exact QFT density matrix describing these non-equilibrium steady states and using Zamolodchikov’s method of the thermodynamic Bethe ansatz (TBA). The scaled cumulant generating function is obtained from the extended fluctuation relations which hold in integrable models. We verify our formula in particular by showing that the conformal field theory (CFT) result is obtained in the high-temperature limit. We analyze numerically our non-equilibrium steady-state TBA equations for three models: the sinh-Gordon model, the roaming trajectories model, and the sine-Gordon model at a particular reflectionless point. Based on the numerics, we conjecture that an infinite family of non-equilibrium c-functions, associated with the scaled cumulants, can be defined, which we interpret physically. We study the full scaled distribution function and find that it can be described by a set of independent Poisson processes. Finally, we show that the ‘additivity’ property of the current, which is known to hold in CFT and was proposed to hold more generally, does not hold in general IQFT—that is, J(Tl, Tr) is not of the form f(Tl) - f(Tr).

Atomic, Molecular, and Optical Physics: Optical Excitation Function of H(1s-2p) Produced by electron Impact from Threshold to 1.8 keV

NASA Technical Reports Server (NTRS)

James, G. K.; Slevin, J. A.; Shemansky, D. E.; McConkey, J. W.; Bray, I.; Dziczek, D.; Kanik, I.; Ajello, J. M.

1997-01-01

The optical excitation function of prompt Lyman-Alpha radiation, produced by electron impact on atomic hydrogen, has been measured over the extended energy range from threshold to 1.8 keV. Measurements were obtained in a crossed-beams experiment using both magnetically confined and electrostatically focused electrons in collision with atomic hydrogen produced by an intense discharge source. A vacuum-ultraviolet mono- chromator system was used to measure the emitted Lyman-Alpha radiation. The absolute H(1s-2p) electron impact excitation cross section was obtained from the experimental optical excitation function by normalizing to the accepted optical oscillator strength, with corrections for polarization and cascade. Statistical and known systematic uncertainties in our data range from +/- 4% near threshold to +/- 2% at 1.8 keV. Multistate coupling affecting the shape of the excitation function up to 1 keV impact energy is apparent in both the present experimental data and present theoretical results obtained with convergent close- coupling (CCC) theory. This shape function effect leads to an uncertainty in absolute cross sections at the 10% level in the analysis of the experimental data. The derived optimized absolute cross sections are within 7% of the CCC calculations over the 14 eV-1.8 keV range. The present CCC calculations converge on the Bethe- Fano profile for H(1s-2p) excitation at high energy. For this reason agreement with the CCC values to within 3% is achieved in a nonoptimal normalization of the experimental data to the Bethe-Fano profile. The fundamental H(1s-2p) electron impact cross section is thereby determined to an unprecedented accuracy over the 14 eV - 1.8 keV energy range.

Crystallographic interpretation of Galois symmetries for magnetic pentagonal ring

NASA Astrophysics Data System (ADS)

Milewski, J.; Lulek, T.; Łabuz, M.

2017-03-01

Galois symmetry of exact Bethe Ansatz eigenstates for the magnetic pentagonal ring within the XXX model are investigated by a comparison with crystallographic constructions of space groups. It follows that the arithmetic symmetry of Bethe parameters for the interior of the Brillouin zone admits crystallographic interpretation, in terms of the periodic square Z2 ×Z2 , that is the two-dimensional crystal lattice with Born-Karman period two in both directions.

The phase diagrams of the ± K model on the Bethe lattice

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2015-07-01

The biquadratic exchange interaction is randomized in a bimodal form with probabilities (p) and (1 - p) for the cases with K > 0 (attractive case) and K < 0 (repulsive case), respectively, and its effects on the phase diagrams of the spin-1 Blume-Emery-Griffiths model are studied on the Bethe lattice by using the recursion relations. It was found that the critical behaviors of the model change drastically.

Training Aide: Research and Guidance for Effective Training User Guide

DTIC Science & Technology

2013-12-01

Research Product 2014-02 Training Aide: Research and Guidance for Effective Training User Guide Beth Plott Shaun...Effective Training User Guide 5a. CONTRACT OR GRANT NUMBER W91WAW-07-C-0081 5b. PROGRAM ELEMENT NUMBER 611102 6. AUTHOR(S) Beth Plott...Representative and Subject Matter POC: Karin A. Orvis 14. ABSTRACT: This is a user guide for the web-based tool called Training Aide: Research and Guidance

Classification of three-state Hamiltonians solvable by the coordinate Bethe ansatz

NASA Astrophysics Data System (ADS)

Crampé, N.; Frappat, L.; Ragoucy, E.

2013-10-01

We classify ‘all’ Hamiltonians with rank 1 symmetry and nearest-neighbour interactions, acting on a periodic three-state spin chain, and solvable through (generalization of) the coordinate Bethe ansatz (CBA). In this way we obtain four multi-parametric extensions of the known 19-vertex Hamiltonians (such as Zamolodchikov-Fateev, Izergin-Korepin and Bariev Hamiltonians). Apart from the 19-vertex Hamiltonians, there exist 17-vertex and 14-vertex Hamiltonians that cannot be viewed as subcases of the 19-vertex ones. In the case of 17-vertex Hamiltonians, we get a generalization of the genus 5 special branch found by Martins, plus three new ones. We also get two 14-vertex Hamiltonians. We solve all these Hamiltonians using CBA, and provide their spectrum, eigenfunctions and Bethe equations. Special attention is given to provide the specifications of our multi-parametric Hamiltonians that give back known Hamiltonians.

Obituary: Elizabeth Katherine Holmes, 1973-2004

NASA Astrophysics Data System (ADS)

Beichman, Charles Arnold

2004-12-01

Elizabeth (Beth) K. Holmes died suddenly in Pasadena on March 23, 2004, from the unexpected effects of a long-standing heart condition. She was 30 years old. At the moment of her passing, she was at her computer comparing her theoretical models on the effects of planets on the distribution of zodiacal dust with some of the first observations from the Spitzer Space Telescope. Born on June 24, 1973, in New York City, Beth was the only child of James and Barbara Holmes, who were respectively, a financial manager and a nurse and social worker. Undeterred by numerous treatments and operations to correct a congenital heart condition, Beth developed an interest in math and physics leading to her graduation from MIT in 1995 with a bachelor's degree in Physics. She entered the University of Florida shortly afterwards to begin her PhD studies under the direction of Stanley Dermott. Beth was particularly interested in the dynamics of interplanetary dust, and initially worked on secular perturbations of the zodiacal cloud: how the planets impose warping of the cloud, and how they can force the center of the cloud to be offset from the Sun. Despite the fact that Beth was primarily a theorist, she was keen to include some observing experience in her PhD education. She recently completed an observing program with Harold Butner at the Steward and Palomar Observatories looking for submillimeter and mid-infrared emission around nearby main-sequence stars - a signpost of planetary formation. The results were published last year in the Astronomical Journal. Beth's PhD thesis work, some results of which were recently published in the Astrophysical Journal, focused on dust originating in the Kuiper belt and how some of this dust is expected to be spatially structured due to resonant interactions with Neptune. This phenomenon may be quite common in other planetary systems, with recent images of Epsilon Eridani perhaps providing a prime example of a Kuiper disk analog. After graduating from Florida in 2002, Beth took up a National Research Council postdoctoral position at the Jet Propulsion Laboratory with Charles Beichman and T. Velusamy with the goal of applying her theoretical knowledge of zodiacal clouds to observations from the Spitzer Space telescope. In advance of the launch of Spitzer, Beth gathered detailed information on over 150 solar type stars and carefully planned a Spitzer observing program to detect faint zodiacal signals. While waiting through numerous launch delays, she prepared models of zodiacal clouds influenced by the presence of planets to be ready when Spitzer images of stars like Vega, Upsilon Andromedae, and Fomalhaut became available. These models were presented as talks and posters at a number of conferences. Her models were a critical part of the Early Release Observations of Fomalhaut and the subsequent Spitzer paper on the possibility that a Jovian-mass planet located approximately 40 AU from the star was responsible for the structures seen in the Fomalhaut disk. The Fomalhaut paper in the special Spitzer edition of the Astrophysical Journal is dedicated to Beth's memory. Beth was an enthusiastic and cheerful colleague who made friends everywhere she worked. In addition to developing friendships and collaborations at JPL, she became a valued member of the Spitzer/MIPS instrument team at the University of Arizona. She was active on the Committee on the Status of Women in Astronomy of the American Astronomical Society, publishing an article on "The Postdoc Perspective on the Women in Astronomy II Conference" in the January 2004 issue of STATUS, the CSWA magazine, and serving as an associate editor of that magazine. She was an inspiring role model for young women in science, befriending and mentoring a number of Caltech women undergraduates, as well as making numerous appearances in K-12 classrooms for science outreach. She pursued her love of plants (cactus in particular), cats and fish, spending her spare time lovingly tending her small garden. Her friends and colleagues will remember Beth for her scientific contributions, but also for her courage as we realize that she worked beside us completely unshadowed by the heart condition that would take her in so sudden and untimely a manner. We take solace in the knowledge that at the moment of her passing, she was pursuing her passion for astronomy, working among colleagues who valued her work and her friendship, that she had a supportive and loving family with parents on the East Coast and close relatives on the West Coast, and that in her fiancé, Todd Rope, she had found a kindred spirit.

On the semi-classical limit of scalar products of the XXZ spin chain

NASA Astrophysics Data System (ADS)

Jiang, Yunfeng; Brunekreef, Joren

2017-03-01

We study the scalar products between Bethe states in the XXZ spin chain with anisotropy |Δ| > 1 in the semi-classical limit where the length of the spin chain and the number of magnons tend to infinity with their ratio kept finite and fixed. Our method is a natural yet non-trivial generalization of similar methods developed for the XXX spin chain. The final result can be written in a compact form as a contour integral in terms of Faddeev's quantum dilogarithm function, which in the isotropic limit reduces to the classical dilogarithm function.

An Investigation of the Posterior Component of Occlusal Force

DTIC Science & Technology

1994-05-01

of the hemostat allowed subjects to consistently orient the bite force transducer parallel to the occIusal plane , thus allowing the bite force to be...the anterior component of occlusal force was influenced by the steepness of the occlusal plane . Southard et al (1989) was the first to quantify the...young adult males yielded higher mean maximum bite forces at 20 mm opening and at 40 mm opening. The authors suggested that orientation and function of

Function of the Alpha6 in Breast Carcinoma

DTIC Science & Technology

1999-10-01

Miao , J., S. Araki, K. Kaji, and H . Hayashi. 1997. Integrin P34 is involved in apoptotic signal transduction in endothelial cells. Biochem. and Biophys...cadherin expression in neoplasatic verus normal thyroid tissue. J. Natl. Cancer Inst. 88:442-449. 6. Shaw, L. M., I. Rabinovitz, H . H .-F. Wang, A. Toker, and...Integrin and cAMP Metabolism Kathleen L. O’Connor, Bao-Kim Nguyen and Arthur M. Mercurio Department of Medicine, Beth Israel Deaconess Medical Center and

Modification of the nuclear landscape in the inverse problem framework using the generalized Bethe-Weizsäcker mass formula

NASA Astrophysics Data System (ADS)

Mavrodiev, S. Cht.; Deliyergiyev, M. A.

We formalized the nuclear mass problem in the inverse problem framework. This approach allows us to infer the underlying model parameters from experimental observation, rather than to predict the observations from the model parameters. The inverse problem was formulated for the numerically generalized semi-empirical mass formula of Bethe and von Weizsäcker. It was solved in a step-by-step way based on the AME2012 nuclear database. The established parametrization describes the measured nuclear masses of 2564 isotopes with a maximum deviation less than 2.6MeV, starting from the number of protons and number of neutrons equal to 1. The explicit form of unknown functions in the generalized mass formula was discovered in a step-by-step way using the modified least χ2 procedure, that realized in the algorithms which were developed by Lubomir Aleksandrov to solve the nonlinear systems of equations via the Gauss-Newton method, lets us to choose the better one between two functions with same χ2. In the obtained generalized model, the corrections to the binding energy depend on nine proton (2, 8, 14, 20, 28, 50, 82, 108, 124) and ten neutron (2, 8, 14, 20, 28, 50, 82, 124, 152, 202) magic numbers as well on the asymptotic boundaries of their influence. The obtained results were compared with the predictions of other models.

Loop expansion around the Bethe approximation through the M-layer construction

NASA Astrophysics Data System (ADS)

Altieri, Ada; Chiara Angelini, Maria; Lucibello, Carlo; Parisi, Giorgio; Ricci-Tersenghi, Federico; Rizzo, Tommaso

2017-11-01

For every physical model defined on a generic graph or factor graph, the Bethe M-layer construction allows building a different model for which the Bethe approximation is exact in the large M limit, and coincides with the original model for M=1 . The 1/M perturbative series is then expressed by a diagrammatic loop expansion in terms of so-called fat diagrams. Our motivation is to study some important second-order phase transitions that do exist on the Bethe lattice, but are either qualitatively different or absent in the corresponding fully connected case. In this case, the standard approach based on a perturbative expansion around the naive mean field theory (essentially a fully connected model) fails. On physical grounds, we expect that when the construction is applied to a lattice in finite dimension there is a small region of the external parameters, close to the Bethe critical point, where strong deviations from mean-field behavior will be observed. In this region, the 1/M expansion for the corrections diverges, and can be the starting point for determining the correct non-mean-field critical exponents using renormalization group arguments. In the end, we will show that the critical series for the generic observable can be expressed as a sum of Feynman diagrams with the same numerical prefactors of field theories. However, the contribution of a given diagram is not evaluated by associating Gaussian propagators to its lines, as in field theories: one has to consider the graph as a portion of the original lattice, replacing the internal lines with appropriate one-dimensional chains, and attaching to the internal points the appropriate number of infinite-size Bethe trees to restore the correct local connectivity of the original model. The actual contribution of each (fat) diagram is the so-called line-connected observable, which also includes contributions from sub-diagrams with appropriate prefactors. In order to compute the corrections near to the critical point, Feynman diagrams (with their symmetry factors) can be read directly from the appropriate field-theoretical literature; the computation of momentum integrals is also quite similar; the extra work consists of computing the line-connected observable of the associated fat diagram in the limit of all lines becoming infinitely long.

American Armed Forces in Mexico? Not Any Time Soon

DTIC Science & Technology

2011-10-28

1848. U.S. declared war, invaded/operated in Mexico for 18 months, and occupied Mexico City. The Hidalgo treaty was signed in February 1848 ending...Mexico." January 2011. http://www.hrw.org/sites/default/files/related_material/mexico_2.pdf (accessed October 23, 2011): 1-2. 44. Mary Beth...Corporation, 2009. Sheridan, Mary Beth. "Clinton vows support for Mexico in drug war, urges progress on rights." The Washington Post, January 24, 2011

One-point functions in defect CFT and integrability

NASA Astrophysics Data System (ADS)

de Leeuw, Marius; Kristjansen, Charlotte; Zarembo, Konstantin

2015-08-01

We calculate planar tree level one-point functions of non-protected operators in the defect conformal field theory dual to the D3-D5 brane system with k units of the world volume flux. Working in the operator basis of Bethe eigenstates of the Heisenberg XXX 1/2 spin chain we express the one-point functions as overlaps of these eigenstates with a matrix product state. For k = 2 we obtain a closed expression of determinant form for any number of excitations, and in the case of half-filling we find a relation with the Néel state. In addition, we present a number of results for the limiting case k → ∞.

Slavnov and Gaudin-Korepin Formulas for Models without U(1) Symmetry: the Twisted XXX Chain

NASA Astrophysics Data System (ADS)

Belliard, Samuel; Pimenta, Rodrigo A.

2015-12-01

We consider the XXX spin-1/2 Heisenberg chain on the circle with an arbitrary twist. We characterize its spectral problem using the modified algebraic Bethe anstaz and study the scalar product between the Bethe vector and its dual. We obtain modified Slavnov and Gaudin-Korepin formulas for the model. Thus we provide a first example of such formulas for quantum integrable models without U(1) symmetry characterized by an inhomogenous Baxter T-Q equation.

Electron-Impact Ionization Cross Section Database

National Institute of Standards and Technology Data Gateway

SRD 107 Electron-Impact Ionization Cross Section Database (Web, free access)   This is a database primarily of total ionization cross sections of molecules by electron impact. The database also includes cross sections for a small number of atoms and energy distributions of ejected electrons for H, He, and H2. The cross sections were calculated using the Binary-Encounter-Bethe (BEB) model, which combines the Mott cross section with the high-incident energy behavior of the Bethe cross section. Selected experimental data are included.

Competition between pressure and gravity confinement in Lyman Alpha forest observations

NASA Technical Reports Server (NTRS)

Charlton, Jane C.; Salpeter, Edwin E.; Linder, Suzanne M.

1994-01-01

A break in the distribution function of Lyman Alpha clouds (at a typical redshift of 2.5) has been reported by Petit-jean et al. (1993). This feature is what would be expected from a transition between pressure confinement and gravity confinement (as predicted in Charlton, Salpeter & Hogan 1993). The column density at which the feature occurs has been used to determine the external confining pressure approximately 10 per cu cm K, which could be due to a hot, intergalactic medium. For models that provide a good fit to the data, the contribution of the gas in clouds to omega is small. The specific shape of the distribution function at the transition (predicted by models to have a nonmonotonic slope) can serve as a diagnostic of the distribution of dark matter around Lyman Alpha forest clouds, and the present data already eliminate certain models.

Quantum dot in interacting environments

NASA Astrophysics Data System (ADS)

Rylands, Colin; Andrei, Natan

2018-04-01

A quantum impurity attached to an interacting quantum wire gives rise to an array of new phenomena. Using the Bethe Ansatz we solve exactly models describing two geometries of a quantum dot coupled to an interacting quantum wire: a quantum dot that is (i) side coupled and (ii) embedded in a Luttinger liquid. We find the eigenstates and determine the spectrum through the Bethe Ansatz equations. Using this we derive exact expressions for the ground-state dot occupation. The thermodynamics are then studied using the thermodynamics Bethe Ansatz equations. It is shown that at low energies the dot becomes fully hybridized and acts as a backscattering impurity or tunnel junction depending on the geometry and furthermore that the two geometries are related by changing the sign of the interactions. Although remaining strongly coupled for all values of the interaction in the wire, there exists competition between the tunneling and backscattering leading to a suppression or enhancement of the dot occupation depending on the sign of the bulk interactions.

Range of validity for perturbative treatments of relativistic sum rules

NASA Astrophysics Data System (ADS)

Cohen, Scott M.

2003-10-01

The range of validity of perturbative calculations of relativistic sum rules is investigated by calculating the second-order relativistic corrections to the Bethe sum rule and its small momentum limit, the Thomas-Reiche-Kuhn (TRK) sum rule. For the TRK sum rule and atomic systems, the second-order correction is found to be less than 0.5% up to about Z=70. The total relativistic corrections should then be accurate at least through this range of Z, and probably beyond this range if the second-order terms are included. For Rn (Z=86), however, the second-order corrections are nearly 1%. The total corrections to the Bethe sum rule are largest at small momentum, never being significantly larger than the corresponding corrections to the TRK sum rule. The first-order corrections to the Bethe sum rule also give better than 0.5% accuracy for Z<70, and inclusion of the second-order corrections should extend this range, as well.

Impact of the terrorist bombings of the Neve Shalom and Beth Israel Synagogues on a hospital in Istanbul, Turkey.

PubMed

Rodoplu, Ulkümen; Arnold, Jeffrey L; Tokyay, Rifat; Ersoy, Gurkan; Cetiner, Serkan; Yücel, Tayfun

2005-02-01

The authors sought to estimate the impact of the open-air mass-casualty terrorist bombings of the Neve Shalom and Beth Israel Synagogues in Istanbul, Turkey, on November 15, 2003, on the American Hospital (AH) in terms of resource utilization, epidemiologic outcomes, and time course of emergency needs. A retrospective descriptive study using data from hospital records of injured survivors who used the emergency department at AH on November 15, 2003, to determine the number and percentage of injured survivors who were hospitalized, received operative care, had specific injury types, had an Injury Severity Score >/=16, died, and arrived within certain time intervals. AH received 69 (91%) injured survivors from the scene, of which nine (12%) were hospitalized and three (4%) received operative care. Starting four hours after the initial blast, seven (9%) injured survivors were transferred to AH from other hospitals, of which five (7%) were hospitalized and four (5%) received operative care. Of the 49 injured survivors from the scene with documented injuries, 43 (88%) had injuries to the head or face, 42 (86%) had lacerations, five (10%) had fractures, one (2%) had a penetrating eye injury, one (2%) had a serious intracranial injury, and none had primary blast injuries. Four (5%) injured survivors at AH had an Injury Severity Score >/=16, and none died. Seventy-six injured survivors used the emergency department at AH, including a delayed wave of injured survivors transferred from other hospitals. The majority of injured survivors with documented injuries had non-life-threatening lacerations of the head or face, and relatively few injured survivors were hospitalized or received operative care.

Relativistic distorted-wave collision strengths for the 49 Δn=0 optically allowed transitions with n=2 in the 67 N-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2014-09-15

Relativistic distorted-wave collision strengths have been calculated for the 49 Δn=0 optically allowed transitions with n=2 in the 67 N-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20, 0.42, 0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−5. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in the previous work by Zhangmore » and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 72 (1999) 153]. In that earlier work, collision strengths were also provided for N-like ions, but for a more comprehensive data set consisting of all possible 105 Δn=0 transitions, six scattered energies and the 81 ions with Z in the range 12≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 72 (1999) 153] and are presented here to replace those earlier results.« less

Relativistic distorted-wave collision strengths for the 16 Δn=0 optically allowed transitions with n=2 in the 67 O-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2015-01-15

Relativistic distorted-wave collision strengths have been calculated for the 16 Δn=0 optically allowed transitions with n=2 in the 67 O-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20,0.42,0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−5.83. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous work by Zhang and Sampson [H.L.more » Zhang, D.H. Sampson, At. Data Nucl. Data Tables 82 (2002) 357]. In that earlier work, collision strengths were also provided for O-like ions, but for a more comprehensive data set consisting of all possible 45 Δn=0 transitions, six scattered energies, and the 79 ions with Z in the range 14≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang, D.H. Sampson, At. Data Nucl. Data Tables 82 (2002) 357] and are presented here to replace those earlier results.« less

Relativistic distorted-wave collision strengths for the 49 Δn=0 optically allowed transitions with n=2 in the 67 B-like ions with 26≤Z≤92

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

Fontes, Christopher J., E-mail: cjf@lanl.gov; Zhang, Hong Lin

2014-05-15

Relativistic distorted-wave collision strengths have been calculated for the 49 Δn=0 optically allowed transitions with n=2 in the 67 B-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the four final, or scattered, electron energies E{sup ′}=0.20, 0.42, 0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−3.33. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous work by Zhang andmore » Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 41]. In that earlier work, collision strengths were also provided for B-like ions, but for a more comprehensive data set consisting of all 105 Δn=0 transitions, six scattered energies and the 85 ions with Z in the range 8≤Z≤92. The collision strengths covered in the present work should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang and D.H. Sampson, At. Data Nucl. Data Tables 56 (1994) 41] and are presented here to replace those earlier results.« less

Track structure simulations at relativistic energies: an update on cross section calculations

NASA Astrophysics Data System (ADS)

Dingfelder, Michael

Charged particle track structure simulations follow the primary, as well as all (produced) sec-ondary particles in an event-by-event matter, from starting or ejection energies down to total stopping. They provide detailed information on the spacial distributions of energy depositions, interaction types, and radical species produced. These quantities provide a starting point to describe the interaction of the radiation with matter of biological interest and to explore and estimate the effects of radiation quality on various biological responses of these systems. Of special interest is liquid water which serves as surrogate for soft tissue. Ionization and excitation cross sections for bare charged particles can be calculated within the framework of the (relativistic) plane-wave Born approximation or the (relativistic) Bethe approximation. Both theories rely on a realistic model of the dielectric response function of the material under consideration and need to address relativistic medium polarization effects like the Fermi-density effect in a consistent way. In this talk we will review and present new and updated aspects of charged particle cross section calculations for relativistic heavy ions with liquid water and other materials of biological interest. This includes an updated model for the dielectric response function of liquid water to better reflect new data from inelastic X-ray scattering (IXS) experiments using synchrotron radiation and a model for the dielectric response function of calcium, which serves as a bone surrogate. We will also discuss the implementation of relativistic effect, especially of the Fermi-density effect into the cross section calculations. This work is supported by the National Aeronautics and Space Administration (NASA), grant no. NNJ04HF39G.

Asymptotic behaviour of two-point functions in multi-species models

NASA Astrophysics Data System (ADS)

Kozlowski, Karol K.; Ragoucy, Eric

2016-05-01

We extract the long-distance asymptotic behaviour of two-point correlation functions in massless quantum integrable models containing multi-species excitations. For such a purpose, we extend to these models the method of a large-distance regime re-summation of the form factor expansion of correlation functions. The key feature of our analysis is a technical hypothesis on the large-volume behaviour of the form factors of local operators in such models. We check the validity of this hypothesis on the example of the SU (3)-invariant XXX magnet by means of the determinant representations for the form factors of local operators in this model. Our approach confirms the structure of the critical exponents obtained previously for numerous models solvable by the nested Bethe Ansatz.

Solutions of the Bethe ansatz equations for XXX antiferromagnet of arbitrary spin in the case of a finite number of sites

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

Avdeev, L.V.; Doerfel, B.D.

1987-11-01

The exactly integrable isotropic Heisenberg chain of N spins s is studied, and numerical solutions to the Bethe ansatz equations corresponding to the antiferromagnetic vacuum (for sN less than or equal to 128) and the simplest excitations have been obtained. For s = 1, a complete set of states for N = 6 is given, and the vacuum solution for finite N is estimated analytically. The deviations from the string picture at large N are discussed.

Galaxy structure from multiple tracers - III. Radial variations in M87's IMF

NASA Astrophysics Data System (ADS)

Oldham, Lindsay; Auger, Matthew

2018-03-01

We present the first constraints on stellar mass-to-light ratio gradients in an early-type galaxy (ETG) using multiple dynamical tracer populations to model the dark and luminous mass structure simultaneously. We combine the kinematics of the central starlight, two globular cluster populations and satellite galaxies in a Jeans analysis to obtain new constraints on M87's mass structure, employing a flexible mass model which allows for radial gradients in the stellar-mass-to-light ratio. We find that, in the context of our model, a radially declining stellar-mass-to-light ratio is strongly favoured. Modelling the stellar-mass-to-light ratio as following a power law, ϒ⋆ ˜ R-μ, we infer a power-law slope μ = -0.54 ± 0.05; equally, parametrizing the stellar-mass-to-light ratio via a central mismatch parameter relative to a Salpeter initial mass function (IMF), α, and scale radius RM, we find α > 1.48 at 95% confidence and RM = 0.35 ± 0.04 kpc. We use stellar population modelling of high-resolution 11-band HST photometry to show that such a steep gradient cannot be achieved by variations in only the metallicity, age, dust extinction and star formation history if the stellar IMF remains spatially constant. On the other hand, the stellar-mass-to-light ratio gradient that we find is consistent with an IMF whose inner slope changes such that it is Salpeter-like in the central ˜0.5 kpc and becomes Chabrier-like within the stellar effective radius. This adds to recent evidence that the non-universality of the IMF in ETGs may be confined to their core regions, and points towards a picture in which the stars in these central regions may have formed in fundamentally different physical conditions.

Elementary diagrams in nuclear and neutron matter

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

Wiringa, R.B.

1995-08-01

Variational calculations of nuclear and neutron matter are currently performed using a diagrammatic cluster expansion with the aid of nonlinear integral equations for evaluating expectation values. These are the Fermi hypernetted chain (FHNC) and single-operator chain (SOC) equations, which are a way of doing partial diagram summations to infinite order. A more complete summation can be made by adding elementary diagrams to the procedure. The simplest elementary diagrams appear at the four-body cluster level; there is one such E{sub 4} diagram in Bose systems, but 35 diagrams in Fermi systems, which gives a level of approximation called FHNC/4. We developedmore » a novel technique for evaluating these diagrams, by computing and storing 6 three-point functions, S{sub xyz}(r{sub 12}, r{sub 13}, r{sub 23}), where xyz (= ccd, cce, ddd, dde, dee, or eee) denotes the exchange character at the vertices 1, 2, and 3. All 35 Fermi E{sub 4} diagrams can be constructed from these 6 functions and other two-point functions that are already calculated. The elementary diagrams are known to be important in some systems like liquid {sup 3}He. We expect them to be small in nuclear matter at normal density, but they might become significant at higher densities appropriate for neutron star calculations. This year we programmed the FHNC/4 contributions to the energy and tested them in a number of simple model cases, including liquid {sup 3}He and Bethe`s homework problem. We get reasonable, but not exact agreement with earlier published work. In nuclear and neutron matter with the Argonne v{sub 14} interaction these contributions are indeed small corrections at normal density and grow to only 5-10 MeV/nucleon at 5 times normal density.« less

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

NASA Astrophysics Data System (ADS)

Vlaar, Bart

2013-06-01

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

Scaled plane-wave Born cross sections for atoms and molecules

NASA Astrophysics Data System (ADS)

Tanaka, H.; Brunger, M. J.; Campbell, L.; Kato, H.; Hoshino, M.; Rau, A. R. P.

2016-04-01

Integral cross sections for optically allowed electronic-state excitations of atoms and molecules by electron impact, by applying scaled plane-wave Born models, are reviewed. Over 40 years ago, Inokuti presented an influential review of charged-particle scattering, based on the theory pioneered by Bethe forty years earlier, which emphasized the importance of reliable cross-section data from low eV energies to high keV energies that are needed in many areas of radiation science with applications to astronomy, plasmas, and medicine. Yet, with a couple of possible exceptions, most computational methods in electron-atom scattering do not, in general, overlap each other's validity range in the region from threshold up to 300 eV and, in particular, in the intermediate region from 30 to 300 eV. This is even more so for electron-molecule scattering. In fact this entire energy range is of great importance and, to bridge the gap between the two regions of low and high energy, scaled plane-wave Born models were developed to provide reliable, comprehensive, and absolute integral cross sections, first for ionization by Kim and Rudd and then extended to optically allowed electronic-state excitation by Kim. These and other scaling models in a broad, general application to electron scattering from atoms and molecules, their theoretical basis, and their results for cross sections along with comparison to experimental measurements are reviewed. Where possible, these data are also compared to results from other computational approaches.

On integrable boundaries in the 2 dimensional O(N) σ-models

NASA Astrophysics Data System (ADS)

Aniceto, Inês; Bajnok, Zoltán; Gombor, Tamás; Kim, Minkyoo; Palla, László

2017-09-01

We make an attempt to map the integrable boundary conditions for 2 dimensional non-linear O(N) σ-models. We do it at various levels: classically, by demanding the existence of infinitely many conserved local charges and also by constructing the double row transfer matrix from the Lax connection, which leads to the spectral curve formulation of the problem; at the quantum level, we describe the solutions of the boundary Yang-Baxter equation and derive the Bethe-Yang equations. We then show how to connect the thermodynamic limit of the boundary Bethe-Yang equations to the spectral curve.

Phase diagram of the isotropic spin-(3)/(2) model on the z=3 Bethe lattice

NASA Astrophysics Data System (ADS)

Depenbrock, Stefan; Pollmann, Frank

2013-07-01

We study an SU(2) symmetric spin-3/2 model on the z=3 Bethe lattice using the infinite time evolving block decimation (iTEBD) method. This model is shown to exhibit a rich phase diagram. We compute several order parameters which allow us to identify a ferromagnetic, a ferrimagnetic, an antiferromagnetic, as well as a dimerized phase. We calculate the entanglement spectra from which we conclude the existence of a symmetry protected topological phase that is characterized by S=1/2 edge spins. Details of the iTEBD algorithm used for the simulations are included.

AdS/CFT duality at strong coupling

NASA Astrophysics Data System (ADS)

Beccaria, M.; Ortix, C.

2007-08-01

We study the strong-coupling limit of the AdS/CFT correspondence in the framework of a recently proposed fermionic formulation of the Bethe ansatz equations governing the gauge theory anomalous dimensions. We give examples of states that do not follow the Gubser-Klebanov-Polyakov law at a large ’t Hooft coupling λ, in contrast to recent results on the quantum string Bethe equations that are valid in that regime. This result indicates that the fermionic construction cannot be trusted at large λ, although it remains an efficient tool for computing the weak-coupling expansion of anomalous dimensions.

Electron-Impact Total Ionization Cross Sections of CH and C2H2

PubMed Central

Kim, Yong-Ki; Ali, M. Asgar; Rudd, M. Eugene

1997-01-01

Electron-impact total ionization cross sections for the CH radical and C2H2 (acetylene) have been calculated using the Binary-Encounter-Bethe (BEB) model. The BEB model combines the Mott cross section and the asymptotic form of the Bethe theory, and has been shown to generate reliable ionization cross sections for a large variety of molecules. The BEB cross sections for CH and C2H2 are in good agreement with the available experimental data from ionization thresholds to hundreds of eV in incident energies. PMID:27805116

Obituary: Beth Brown (1969-2008)

NASA Astrophysics Data System (ADS)

Bregman, Joel

2011-12-01

The astronomical community lost one of its most buoyant and caring individuals when Beth Brown died, unexpectedly, at the age of 39 from a pulmonary embolism. Beth Brown was born in Roanoke, Virginia where she developed a deep interest in astronomy, science, and science fiction (Star Trek). After graduating as the valedictorian of William Fleming High School's Class of 1987, she attended Howard University, where she graduated summa cum laude in 1991 with a bachelor's degree in astrophysics. Following a year in the graduate physics program at Howard, she entered the graduate program in the Department of Astronomy at the University of Michigan, the first African-American woman in the program. She received her PhD in 1998, working with X-ray observations of elliptical galaxies from the Röntgen Satellite (ROSAT; Joel Bregman was her advisor). She compiled and analyzed the first large complete sample of such galaxies with ROSAT and her papers in this area made an impact in the field. Following her PhD, Beth Brown held a National Academy of Science & National Research Council Postdoctoral Research Fellowship at NASA's Goddard Space Flight Center. Subsequently, she became a civil servant at the National Space Science Data Center at GSFC, where she was involved in data archival activities as well as education and outreach, a continuing passion in her life. In 2006, Brown became an Astrophysics Fellow at GSFC, during which time she worked as a visiting Assistant Professor at Howard University, where she taught and worked with students and faculty to improve the teaching observatory. At the time of her death, she was eagerly looking forward to a new position at GSFC as the Assistant Director for Science Communications and Higher Education. Beth Brown was a joyous individual who loved to work with people, especially in educating them about our remarkable field. Her warmth and openness was a great aid in making accessible explanations of otherwise daunting astrophysical phenomena. She was involved in outreach and education at many levels and throughout her career. She would give planetarium shows, popular science talks for the public, and would speak to local and national news agencies, where she would explain recent NASA science findings. Among other contributions to higher education, she created a course, "Naked Eye Astronomy" at the University of Michigan, which remains the most popular course that the department offers. She was an active member of the National Society of Black Physicists (NSBP), where she was a frequent speaker as well as a mentor to students. Beth Brown was an inspiration to women and minorities in encouraging them to pursue careers in astronomy and physics. One could not find a finer roll model. She will be missed but not forgotten.

Rényi entropies after releasing the Néel state in the XXZ spin-chain

NASA Astrophysics Data System (ADS)

Alba, Vincenzo; Calabrese, Pasquale

2017-11-01

We study the Rényi entropies in the spin-1/2 anisotropic Heisenberg chain after a quantum quench starting from the Néel state. The quench action method allows us to obtain the stationary Rényi entropies for arbitrary values of the index α as generalised free energies evaluated over a calculable thermodynamic macrostate depending on α. We work out this macrostate for several values of α and of the anisotropy Δ by solving the thermodynamic Bethe ansatz equations. By varying α different regions of the Hamiltonian spectrum are accessed. The two extremes are α\\to∞ for which the thermodynamic macrostate is either the ground state or a low-lying excited state (depending on Δ) and α=0 when the macrostate is the infinite temperature state. The Rényi entropies are easily obtained from the macrostate as function of α and a few interesting limits are analytically characterised. We provide robust numerical evidence to confirm our results using exact diagonalisation and a stochastic numerical implementation of Bethe ansatz. Finally, using tDMRG we calculate the time evolution of the Rényi entanglement entropies. For large subsystems and for any α, their density turns out to be compatible with that of the thermodynamic Rényi entropies.

SDSS-IV MaNGA: Variation of the Stellar Initial Mass Function in Spiral and Early-type Galaxies

NASA Astrophysics Data System (ADS)

Li, Hongyu; Ge, Junqiang; Mao, Shude; Cappellari, Michele; Long, R. J.; Li, Ran; Emsellem, Eric; Dutton, Aaron A.; Li, Cheng; Bundy, Kevin; Thomas, Daniel; Drory, Niv; Lopes, Alexandre Roman

2017-04-01

We perform Jeans anisotropic modeling (JAM) on elliptical and spiral galaxies from the MaNGA DR13 sample. By comparing the stellar mass-to-light ratios estimated from stellar population synthesis and from JAM, we find a systematic variation of the initial mass function (IMF) similar to that in the earlier {{ATLAS}}3{{D}} results. Early-type galaxies (elliptical and lenticular) with lower velocity dispersions within one effective radius are consistent with a Chabrier-like IMF, while galaxies with higher velocity dispersions are consistent with a more bottom-heavy IMF such as the Salpeter IMF. Spiral galaxies have similar systematic IMF variations, but with slightly different slopes and larger scatters, due to the uncertainties caused by the higher gas fractions and extinctions for these galaxies. Furthermore, we examine the effects of stellar mass-to-light ratio gradients on our JAM modeling, and we find that the trends become stronger after considering the gradients.

Quantum Chromodynamics and Color Confinement (confinement 2000) - Proceedings of the International Symposium

NASA Astrophysics Data System (ADS)

Suganuma, H.; Fukushima, M.; Toki, H.

The Table of Contents for the book is as follows: * Preface * Opening Address * Monopole Condensation and Quark Confinement * Dual QCD, Effective String Theory, and Regge Trajectories * Abelian Dominance and Monopole Condensation * Non-Abelian Stokes Theorem and Quark Confinement in QCD * Infrared Region of QCD and Confining Configurations * BRS Quartet Mechanism for Color Confinement * Color Confinement and Quartet Mechanism * Numerical Tests of the Kugo-Ojima Color Confinement Criterion * Monopoles and Confinement in Lattice QCD * SU(2) Lattice Gauge Theory at T > 0 in a Finite Box with Fixed Holonomy * Confining and Dirac Strings in Gluodynamics * Cooling, Monopoles, and Vortices in SU(2) Lattice Gauge Theory * Quark Confinement Physics from Lattice QCD * An (Almost) Perfect Lattice Action for SU(2) and SU(3) Gluodynamics * Vortices and Confinement in Lattice QCD * P-Vortices, Nexuses and Effects of Gribov Copies in the Center Gauges * Laplacian Center Vortices * Center Vortices at Strong Couplings and All Couplings * Simulations in SO(3) × Z(2) Lattice Gauge Theory * Exciting a Vortex - the Cost of Confinement * Instantons in QCD * Deformation of Instanton in External Color Fields * Field Strength Correlators in the Instanton Liquid * Instanton and Meron Physics in Lattice QCD * The Dual Ginzburg-Landau Theory for Confinement and the Role of Instantons * Lattice QCD for Quarks, Gluons and Hadrons * Hadronic Spectral Functions in QCD * Universality and Chaos in Quantum Field Theories * Lattice QCD Study of Three Quark Potential * Probing the QCD Vacuum with Flavour Singlet Objects : η' on the Lattice * Lattice Studies of Quarks and Gluons * Quarks and Hadrons in QCD * Supersymmetric Nonlinear Sigma Models * Chiral Transition and Baryon-number Susceptibility * Light Quark Masses in QCD * Chiral Symmetry of Baryons and Baryon Resonances * Confinement and Bound States in QCD * Parallel Session * Off-diagonal Gluon Mass Generation and Strong Randomness of Off-diagonal Gluon Phase in the Maximally Abelian Gauge * On the Colour Confinement and the Minimal Surface * Glueball Mass and String Tension of SU(2) Gluodynamics from Abelian Monopoles and Strings * Application of the Non-Perturbative Renormalization Group to the Nambu-Jona-Lasinio Model at Finite Temperature and Density * Confining Flux-Tube and Hadrons in QCD * Gauge Symmetry Breakdown due to Dynamical Higgs Scalar * Spatial Structure of Quark Cooper Pairs * New Approach to Axial Coupling Constants in the QCD Sum Rule and Instanton Effects * String Breaking on a Lattice * Bethe-Salpeter Approach for Mesons within the Dual Ginzburg-Landau Theory * Gauge Dependence and Matching Procedure of a Nonrelativistic QCD Boundstate Formalism * A Mathematical Approach to the SU(2)-Quark Confinement * Simulations of Odd Flavors QCD by Hybrid Monte Carlo * Non-Perturbative Renormalization Group Analysis of Dynamical Chiral Symmetry Breaking with Beyond Ladder Contributions * Charmonium Physics in Finite Temperature Lattice QCD * From Meson-Nucleon Scattering to Vector Mesons in Nuclear Matter * Symposium Program * List of Participants

Modified n-level, n - 1-mode Tavis-Cummings model and algebraic Bethe ansatz

NASA Astrophysics Data System (ADS)

Skrypnyk, T.

2018-01-01

Using the quantum group technique we construct a one-parametric family of integrable modifications of the n-level, n-1 mode Tavis-Cummings Hamiltonian possessing an additional Stark-type term. We show that in the ‘quasiclassical’ limit the constructed Hamiltonian transforms into the integrable Hamiltonian of the quantum n-level, n-1 mode Tavis-Cummings model with the equal interaction strengths considered in Skrypnyk (2008 J. Phys. A: Math. Theor. 41 475202, 2009 J. Math. Phys. 50 103523). We diagonalize the constructed ‘modified’ Tavis-Cummings Hamiltonian and its second order integrals of motion using the nested Bethe ansatz.

Density matrix renormalization group simulations of SU(N ) Heisenberg chains using standard Young tableaus: Fundamental representation and comparison with a finite-size Bethe ansatz

NASA Astrophysics Data System (ADS)

Nataf, Pierre; Mila, Frédéric

2018-04-01

We develop an efficient method to perform density matrix renormalization group simulations of the SU(N ) Heisenberg chain with open boundary conditions taking full advantage of the SU(N ) symmetry of the problem. This method is an extension of the method previously developed for exact diagonalizations and relies on a systematic use of the basis of standard Young tableaux. Concentrating on the model with the fundamental representation at each site (i.e., one particle per site in the fermionic formulation), we have benchmarked our results for the ground-state energy up to N =8 and up to 420 sites by comparing them with Bethe ansatz results on open chains, for which we have derived and solved the Bethe ansatz equations. The agreement for the ground-state energy is excellent for SU(3) (12 digits). It decreases with N , but it is still satisfactory for N =8 (six digits). Central charges c are also extracted from the entanglement entropy using the Calabrese-Cardy formula and agree with the theoretical values expected from the SU (N) 1 Wess-Zumino-Witten conformal field theories.

Bukhvostov-Lipatov model and quantum-classical duality

NASA Astrophysics Data System (ADS)

Bazhanov, Vladimir V.; Lukyanov, Sergei L.; Runov, Boris A.

2018-02-01

The Bukhvostov-Lipatov model is an exactly soluble model of two interacting Dirac fermions in 1 + 1 dimensions. The model describes weakly interacting instantons and anti-instantons in the O (3) non-linear sigma model. In our previous work [arxiv:arXiv:1607.04839] we have proposed an exact formula for the vacuum energy of the Bukhvostov-Lipatov model in terms of special solutions of the classical sinh-Gordon equation, which can be viewed as an example of a remarkable duality between integrable quantum field theories and integrable classical field theories in two dimensions. Here we present a complete derivation of this duality based on the classical inverse scattering transform method, traditional Bethe ansatz techniques and analytic theory of ordinary differential equations. In particular, we show that the Bethe ansatz equations defining the vacuum state of the quantum theory also define connection coefficients of an auxiliary linear problem for the classical sinh-Gordon equation. Moreover, we also present details of the derivation of the non-linear integral equations determining the vacuum energy and other spectral characteristics of the model in the case when the vacuum state is filled by 2-string solutions of the Bethe ansatz equations.

Rigged String Configurations, Bethe Ansatz Qubits, and Conservation of Parity

NASA Astrophysics Data System (ADS)

Lulek, T.

Bethe Ansatz solutions for the Heisenberg Hamiltonian of a one - dimensional magnetic ring of N nodes, each with the spin 1/2, within the XXX model, have been presented as some composite systems, in a spirit of quantum information theory. The constituents are single - node spin states, which organize into strings of various length, and "seas of holes". The former are responsible for dynamics, whereas the latter determine the range of riggings for strings. Another aim was to demonstrate a unification of Bethe Ansatz eigenstates by means of Galois symmetries of finite field extensions. The key observation is that the original eigenproblem is expressible in integers, and thus, for a finite fixed N, the splitting field of the characteristic polynom of the Heisenberg Hamiltonian is also finite. The Galois group of the latter field permutes, by definition, roots of this polynom, which implies permutation of eigenstates. General considerations are demonstrated on the example of heptagon (N = 7), which admits an implementation of a collection of arithmetic qubits, and also demonstrates a special case of degeneration of the spectrum of the Hamiltonian, resulting from conservation of parity, within the realm of rigged string configurations.

Exact quantum numbers of collapsed and non-collapsed two-string solutions in the spin-1/2 Heisenberg spin chain

NASA Astrophysics Data System (ADS)

Deguchi, Tetsuo; Ranjan Giri, Pulak

2016-04-01

Every solution of the Bethe-ansatz equations (BAEs) is characterized by a set of quantum numbers, by which we can evaluate it numerically. However, no general rule is known how to give quantum numbers for the physical solutions of BAE. For the spin-1/2 XXX chain we rigorously derive all the quantum numbers for the complete set of the Bethe-ansatz eigenvectors in the two down-spin sector with any chain length N. Here we obtain them both for real and complex solutions. We also show that all the solutions associated with them are distinct. Consequently, we prove the completeness of the Bethe ansatz and give an exact expression for the number of real solutions which correspond to collapsed bound-state solutions (i.e., two-string solutions) in the sector: 2[(N-1)/2-(N/π ){{tan}}-1(\\sqrt{N-1})] in terms of Gauss’ symbol. Moreover, we prove in the sector the scheme conjectured by Takahashi for solving BAE systematically. We also suggest that by applying the present method we can derive the quantum numbers for the spin-1/2 XXZ chain.

Quasimodular instanton partition function and the elliptic solution of Korteweg-de Vries equations

NASA Astrophysics Data System (ADS)

He, Wei

2015-02-01

The Gauge/Bethe correspondence relates Omega-deformed N = 2 supersymmetric gauge theories to some quantum integrable models, in simple cases the integrable models can be treated as solvable quantum mechanics models. For SU(2) gauge theory with an adjoint matter, or with 4 fundamental matters, the potential of corresponding quantum model is the elliptic function. If the mass of matter takes special value then the potential is an elliptic solution of KdV hierarchy. We show that the deformed prepotential of gauge theory can be obtained from the average densities of conserved charges of the classical KdV solution, the UV gauge coupling dependence is assembled into the Eisenstein series. The gauge theory with adjoint mass is taken as the example.

Scalar one-point functions and matrix product states of AdS/dCFT

NASA Astrophysics Data System (ADS)

de Leeuw, Marius; Kristjansen, Charlotte; Linardopoulos, Georgios

2018-06-01

We determine in a closed form all scalar one-point functions of the defect CFT dual to the D3-D5 probe brane system with k units of flux which amounts to calculating the overlap between a Bethe eigenstate of the integrable SO(6) spin chain and a certain matrix product state of bond dimension k. In particular, we show that the matrix product state is annihilated by all the parity odd charges of the spin chain which has recently been suggested as the criterion for such a state to correspond to an integrable initial state. Finally, we discuss the properties of the analogous matrix product state for the SO(5) symmetric D3-D7 probe brane set-up.

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

NASA Astrophysics Data System (ADS)

Cubero, Axel Cortés

2015-05-01

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

Quantum Wronskian approach to six-point gluon scattering amplitudes at strong coupling

NASA Astrophysics Data System (ADS)

Hatsuda, Yasuyuki; Ito, Katsushi; Satoh, Yuji; Suzuki, Junji

2014-08-01

We study the six-point gluon scattering amplitudes in = 4 super Yang-Mills theory at strong coupling based on the twisted ℤ4-symmetric integrable model. The lattice regularization allows us to derive the associated thermodynamic Bethe ansatz (TBA) equations as well as the functional relations among the Q-/T-/Y-functions. The quantum Wronskian relation for the Q-/T-functions plays an important role in determining a series of the expansion coefficients of the T-/Y-functions around the UV limit, including the dependence on the twist parameter. Studying the CFT limit of the TBA equations, we derive the leading analytic expansion of the remainder function for the general kinematics around the limit where the dual Wilson loops become regular-polygonal. We also compare the rescaled remainder functions at strong coupling with those at two, three and four loops, and find that they are close to each other along the trajectories parameterized by the scale parameter of the integrable model.

Thermal form factor approach to the ground-state correlation functions of the XXZ chain in the antiferromagnetic massive regime

NASA Astrophysics Data System (ADS)

Dugave, Maxime; Göhmann, Frank; Kozlowski, Karol K.; Suzuki, Junji

2016-09-01

We use the form factors of the quantum transfer matrix in the zero-temperature limit in order to study the two-point ground-state correlation functions of the XXZ chain in the antiferromagnetic massive regime. We obtain novel form factor series representations of the correlation functions which differ from those derived either from the q-vertex-operator approach or from the algebraic Bethe Ansatz approach to the usual transfer matrix. We advocate that our novel representations are numerically more efficient and allow for a straightforward calculation of the large-distance asymptotic behaviour of the two-point functions. Keeping control over the temperature corrections to the two-point functions we see that these are of order {T}∞ in the whole antiferromagnetic massive regime. The isotropic limit of our result yields a novel form factor series representation for the two-point correlation functions of the XXX chain at zero magnetic field. Dedicated to the memory of Petr Petrovich Kulish.

Quantization of the Kadomtsev-Petviashvili equation

NASA Astrophysics Data System (ADS)

Kozlowski, K.; Sklyanin, E. K.; Torrielli, A.

2017-08-01

We propose a quantization of the Kadomtsev-Petviashvili equation on a cylinder equivalent to an infinite system of nonrelativistic one-dimensional bosons with the masses m = 1, 2,.... The Hamiltonian is Galilei-invariant and includes the split and merge terms Ψ _{{m_1}}^\\dag Ψ _{{m_2}}^\\dag {Ψ _{{m_1} + {m_2}}} and Ψ _{{m_1} + {m_2}}^\\dag {Ψ _{{m_1}}}{Ψ _{{m_2}}} for all combinations of particles with masses m 1, m 2, and m 1 + m 2 for a special choice of coupling constants. We construct the Bethe eigenfunctions for the model and verify the consistency of the coordinate Bethe ansatz and hence the quantum integrability of the model up to the mass M=8 sector.

Complete spectrum of long operators in Script N = 4 SYM at one loop

NASA Astrophysics Data System (ADS)

Beisert, Niklas; Kazakov, Vladimir A.; Sakai, Kazuhiro; Zarembo, Konstantin

2005-07-01

We construct the complete spectral curve for an arbitrary local operator, including fermions and covariant derivatives, of one-loop Script N = 4 gauge theory in the thermodynamic limit. This curve perfectly reproduces the Frolov-Tseytlin limit of the full spectral curve of classical strings on AdS5 × S5 derived in [64]. To complete the comparison we introduce stacks, novel bound states of roots of different flavors which arise in the thermodynamic limit of the corresponding Bethe ansatz equations. We furthermore show the equivalence of various types of Bethe equations for the underlying fraktur sfraktur u(2,2|4) superalgebra, in particular of the type ``Beauty'' and ``Beast''.

New construction of eigenstates and separation of variables for SU( N) quantum spin chains

NASA Astrophysics Data System (ADS)

Gromov, Nikolay; Levkovich-Maslyuk, Fedor; Sizov, Grigory

2017-09-01

We conjecture a new way to construct eigenstates of integrable XXX quantum spin chains with SU( N) symmetry. The states are built by repeatedly acting on the vacuum with a single operator B good( u) evaluated at the Bethe roots. Our proposal serves as a compact alternative to the usual nested algebraic Bethe ansatz. Furthermore, the roots of this operator give the separated variables of the model, explicitly generalizing Sklyanin's approach to the SU( N) case. We present many tests of the conjecture and prove it in several special cases. We focus on rational spin chains with fundamental representation at each site, but expect many of the results to be valid more generally.

Extraction of hadron interactions above inelastic threshold in lattice QCD

PubMed Central

AOKI, Sinya; ISHII, Noriyoshi; DOI, Takumi; HATSUDA, Tetsuo; IKEDA, Yoichi; INOUE, Takashi; MURANO, Keiko; NEMURA, Hidekatsu; SASAKI, Kenji

2011-01-01

We propose a new method to extract hadron interactions above inelastic threshold from the Nambu–Bethe–Salpeter amplitude in lattice QCD. We consider the scattering such as A + B → C + D, where A, B, C, D are names of different 1-particle states. An extension to cases where particle productions occur during scatterings is also discussed. PMID:21986314

Excited state correlations of the finite Heisenberg chain

NASA Astrophysics Data System (ADS)

Pozsgay, Balázs

2017-02-01

We consider short range correlations in excited states of the finite XXZ and XXX Heisenberg spin chains. We conjecture that the known results for the factorized ground state correlations can be applied to the excited states too, if the so-called physical part of the construction is changed appropriately. For the ground state we derive simple algebraic expressions for the physical part; the formulas only use the ground state Bethe roots as an input. We conjecture that the same formulas can be applied to the excited states as well, if the exact Bethe roots of the excited states are used instead. In the XXZ chain the results are expected to be valid for all states (except certain singular cases where regularization is needed), whereas in the XXX case they only apply to singlet states or group invariant operators. Our conjectures are tested against numerical data from exact diagonalization and coordinate Bethe Ansatz calculations, and perfect agreement is found in all cases. In the XXX case we also derive a new result for the nearest-neighbour correlator < σ 1zσ 2z> , which is valid for non-singlet states as well. Our results build a bridge between the known theory of factorized correlations, and the recently conjectured TBA-like description for the building blocks of the construction.

One-loop topological expansion for spin glasses in the large connectivity limit

NASA Astrophysics Data System (ADS)

Chiara Angelini, Maria; Parisi, Giorgio; Ricci-Tersenghi, Federico

2018-01-01

We apply for the first time a new one-loop topological expansion around the Bethe solution to the spin-glass model with a field in the high connectivity limit, following the methodological scheme proposed in a recent work. The results are completely equivalent to the well-known ones, found by standard field-theoretical expansion around the fully connected model (Bray and Roberts 1980, and following works). However this method has the advantage that the starting point is the original Hamiltonian of the model, with no need to define an associated field theory, nor to know the initial values of the couplings, and the computations have a clear and simple physical meaning. Moreover this new method can also be applied in the case of zero temperature, when the Bethe model has a transition in field, contrary to the fully connected model that is always in the spin-glass phase. Sharing with finite-dimensional model the finite connectivity properties, the Bethe lattice is clearly a better starting point for an expansion with respect to the fully connected model. The present work is a first step towards the generalization of this new expansion to more difficult and interesting cases as the zero-temperature limit, where the expansion could lead to different results with respect to the standard one.

Radial measurements of IMF-sensitive absorption features in two massive ETGs

NASA Astrophysics Data System (ADS)

Vaughan, Sam P.; Davies, Roger L.; Zieleniewski, Simon; Houghton, Ryan C. W.

2018-03-01

We make radial measurements of stellar initial mass function (IMF) sensitive absorption features in the two massive early-type galaxies NGC 1277 and IC 843. Using the Oxford Short Wavelength Integral Field specTrogaph (SWIFT), we obtain resolved measurements of the Na I 0.82 and FeH 0.99 indices, amongst others, finding both galaxies show strong gradients in Na I absorption combined with flat FeH profiles at ˜0.4 Å. We find these measurements may be explained by radial gradients in the IMF, appropriate abundance gradients in [Na/Fe] and [Fe/H], or a combination of the two, and our data are unable to break this degeneracy. We also use full spectral fitting to infer global properties from an integrated spectrum of each object, deriving a unimodal IMF slope consistent with Salpeter in IC 843 (x = 2.27 ± 0.17) but steeper than Salpeter in NGC 1277 (x = 2.69 ± 0.11), despite their similar FeH equivalent widths. Independently, we fit the strength of the FeH feature and compare to the E-MILES and CvD12 stellar population libraries, finding agreement between the models. The IMF values derived in this way are in close agreement with those from spectral fitting in NGC 1277 (x_{CvD}=2.59^{+0.25}_{-0.48}, x_{E-MILES}=2.77± 0.31), but are less consistent in IC 843, with the IMF derived from FeH alone leading to steeper slopes than when fitting the full spectrum (x_{CvD}=2.57^{+0.30}_{-0.41}, x_{E-MILES}=2.72± 0.25). This work highlights the importance of a large wavelength coverage for breaking the degeneracy between abundance and IMF variations, and may bring into doubt the use of the Wing-Ford band as an IMF index if used without other spectral information.

Self Care

MedlinePlus

... Beth Israel Heart Disease Diabetes Chronic Pain New Approaches to Chronic Disease Self Assessment Self Care Connections Experiences Research Learning Evaluation Print Email Self Care If you are ...

TBA-like integral equations from quantized mirror curves

NASA Astrophysics Data System (ADS)

Okuyama, Kazumi; Zakany, Szabolcs

2016-03-01

Quantizing the mirror curve of certain toric Calabi-Yau (CY) three-folds leads to a family of trace class operators. The resolvent function of these operators is known to encode topological data of the CY. In this paper, we show that in certain cases, this resolvent function satisfies a system of non-linear integral equations whose structure is very similar to the Thermodynamic Bethe Ansatz (TBA) systems. This can be used to compute spectral traces, both exactly and as a semiclassical expansion. As a main example, we consider the system related to the quantized mirror curve of local P2. According to a recent proposal, the traces of this operator are determined by the refined BPS indices of the underlying CY. We use our non-linear integral equations to test that proposal.

Quantum statistical mechanics of dense partially ionized hydrogen.

NASA Technical Reports Server (NTRS)

Dewitt, H. E.; Rogers, F. J.

1972-01-01

The theory of dense hydrogenic plasmas beginning with the two component quantum grand partition function is reviewed. It is shown that ionization equilibrium and molecular dissociation equilibrium can be treated in the same manner with proper consideration of all two-body states. A quantum perturbation expansion is used to give an accurate calculation of the equation of state of the gas for any degree of dissociation and ionization. In this theory, the effective interaction between any two charges is the dynamic screened potential obtained from the plasma dielectric function. We make the static approximation; and we carry out detailed numerical calculations with the bound and scattering states of the Debye potential, using the Beth-Uhlenbeck form of the quantum second virial coefficient. We compare our results with calculations from the Saha equation.

Quantum integrability and functional equations

NASA Astrophysics Data System (ADS)

Volin, Dmytro

2010-03-01

In this thesis a general procedure to represent the integral Bethe Ansatz equations in the form of the Reimann-Hilbert problem is given. This allows us to study in simple way integrable spin chains in the thermodynamic limit. Based on the functional equations we give the procedure that allows finding the subleading orders in the solution of various integral equations solved to the leading order by the Wiener-Hopf technics. The integral equations are studied in the context of the AdS/CFT correspondence, where their solution allows verification of the integrability conjecture up to two loops of the strong coupling expansion. In the context of the two-dimensional sigma models we analyze the large-order behavior of the asymptotic perturbative expansion. Obtained experience with the functional representation of the integral equations allowed us also to solve explicitly the crossing equations that appear in the AdS/CFT spectral problem.

The Hubbard Dimer: A Complete DFT Solution to a Many-Body Problem

NASA Astrophysics Data System (ADS)

Smith, Justin; Carrascal, Diego; Ferrer, Jaime; Burke, Kieron

2015-03-01

In this work we explain the relationship between density functional theory and strongly correlated models using the simplest possible example, the two-site asymmetric Hubbard model. We discuss the connection between the lattice and real-space and how this is a simple model for stretched H2. We can solve this elementary example analytically, and with that we can illuminate the underlying logic and aims of DFT. While the many-body solution is analytic, the density functional is given only implicitly. We overcome this difficulty by creating a highly accurate parameterization of the exact function. We use this parameterization to perform benchmark calculations of correlation kinetic energy, the adiabatic connection, etc. We also test Hartree-Fock and the Bethe Ansatz Local Density Approximation. We also discuss and illustrate the derivative discontinuity in the exchange-correlation energy and the infamous gap problem in DFT. DGE-1321846, DE-FG02-08ER46496.

Origin of the fundamental plane of elliptical galaxies in the Coma cluster without fine-tuning

NASA Astrophysics Data System (ADS)

Chiu, Mu-Chen; Ko, Chung-Ming; Shu, Chenggang

2017-03-01

Thirty years after the discovery of the fundamental plane, explanations of the tilt of the fundamental plane with respect to the virial plane are still in need of fine-tuning. In this paper, we try to explore the origin of this tilt from the perspective of modified Newtonian dynamics (MOND) by applying the 16 Coma galaxies available in J. Thomas et al. [Mon. Not. R. Astron. Soc. 415, 545 (2011), 10.1111/j.1365-2966.2011.18725.x]. Based on the mass models that can reproduce de Vaucouleurs' law closely, we find that the tilt of the traditional fundamental plane is naturally explained by the simple form of the MONDian interpolating function, if we assume a well motivated choice of anisotropic velocity distribution, and adopt the Kroupa or Salpeter stellar mass-to-light ratio. Our analysis does not necessarily rule out a varying stellar mass-to-light ratio.

Galacti chemical evolution: Hygrogen through zinc

NASA Technical Reports Server (NTRS)

Timmes, F. X.; Woosley, S. E.; Weaver, Thomas A.

1995-01-01

Using the output from a grid of 60 Type II supernova models (Woosley & Weaver 1995) of varying mass (11 approx. less than (M/solar mass) approx. less than 40) and metallicity (0, 10(exp -4), 0.01, and 1 solar metallicity), the chemical evolution of 76 stable isotopes, from hydrogen to zinc, is calculated. The chemical evolution calculation employs a simple dynamical model for the Galaxy (infall with a 4 Gyr e-folding timescale onto a exponential dsk and 1/r(exp 2) bulge), and standard evolution parameters, such as a Salpeter initial mass function and a quadratic Schmidt star formation rate. The theoretical results are compared in detail with observed stellar abundances in stars with metallicities in the range -3.0 approx. less than (Fe/H) approx. less than 0.0 dex. While our discussion focuses on the solar neighborhood where there are the most observations, the supernova rates, an intrinsically Galactic quality, are also discussed.

A multifrequency study of star formation in the blue compact dwarf galaxy IZw 36

NASA Technical Reports Server (NTRS)

Viallefond, F.; Thuan, T. X.

1983-01-01

Radio, near IR, optical, and UV observations of I Zw 36 = Mrk 209 = Haro 29 are reported. The H I distribution shows a core-halo structure, the core containing half of the mass and showing systematic motions; the halo is diffuse and contains several H I clumps. The visible star formation region is associated with the core but is shifted slightly with respect to the H I peak column density; and the virial mass is 5 to 7 times the H I mass. Star formation models with an initial mass function of slope 1.5 (the Salpeter value being 1.35) and a burst age or duration of a few million years fit well the optical spectrophotometric measurements. The data also suggest that the column density of molecular hydrogen in I Zw 36 is 6 + or - 3 times that of the neutral hydrogen, about the right amount to account for the virial mass.

The critical boundary RSOS M(3,5) model

NASA Astrophysics Data System (ADS)

El Deeb, O.

2017-12-01

We consider the critical nonunitary minimal model M(3, 5) with integrable boundaries and analyze the patterns of zeros of the eigenvalues of the transfer matrix and then determine the spectrum of the critical theory using the thermodynamic Bethe ansatz ( TBA) equations. Solving the TBA functional equation satisfied by the transfer matrices of the associated A 4 restricted solid-on-solid Forrester-Baxter lattice model in regime III in the continuum scaling limit, we derive the integral TBA equations for all excitations in the ( r, s) = (1, 1) sector and then determine their corresponding energies. We classify the excitations in terms of ( m, n) systems.

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

Jentschura, Ulrich D.; National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8401; Mohr, Peter J.

We describe the calculation of hydrogenic (one-loop) Bethe logarithms for all states with principal quantum numbers n{<=}200. While, in principle, the calculation of the Bethe logarithm is a rather easy computational problem involving only the nonrelativistic (Schroedinger) theory of the hydrogen atom, certain calculational difficulties affect highly excited states, and in particular states for which the principal quantum number is much larger than the orbital angular momentum quantum number. Two evaluation methods are contrasted. One of these is based on the calculation of the principal value of a specific integral over a virtual photon energy. The other method relies directlymore » on the spectral representation of the Schroedinger-Coulomb propagator. Selected numerical results are presented. The full set of values is available at arXiv.org/quant-ph/0504002.« less

"Her mouth is medicine": Beth Brant and Paula Gunn Allen's decolonizing queer erotics.

PubMed

Burford, Arianne

2013-01-01

This article asserts the need to recognize the complexity of the theoretical work of more lesbian Native American writers, focusing specifically Beth Brant (Bay of Quinte Mohawk) and Paula Gunn Allen (Laguna Pueblo). Their poetry and short stories provide a theoretically nuanced analysis of how heteronormativity is intertwined in and dependent on colonialism, and thus a methodology for Queer Theory that requires an understanding of it in relation to colonialism. They reject heteronormative Pocahontas fantasies about Native women, offering a lesbian-based tactic for decolonization through the expression of erotic desire. This article demonstrates the endless possibilities for fierce queer resistance, revolutionary change, and healing from the trauma of genocide and the accompanying colonialist heteropatriarchal disciplining of Native women's bodies.

Connection between Dynamically Derived Initial Mass Function Normalization and Stellar Population Parameters

NASA Astrophysics Data System (ADS)

McDermid, Richard M.; Cappellari, Michele; Alatalo, Katherine; Bayet, Estelle; Blitz, Leo; Bois, Maxime; Bournaud, Frédéric; Bureau, Martin; Crocker, Alison F.; Davies, Roger L.; Davis, Timothy A.; de Zeeuw, P. T.; Duc, Pierre-Alain; Emsellem, Eric; Khochfar, Sadegh; Krajnović, Davor; Kuntschner, Harald; Morganti, Raffaella; Naab, Thorsten; Oosterloo, Tom; Sarzi, Marc; Scott, Nicholas; Serra, Paolo; Weijmans, Anne-Marie; Young, Lisa M.

2014-09-01

We report on empirical trends between the dynamically determined stellar initial mass function (IMF) and stellar population properties for a complete, volume-limited sample of 260 early-type galaxies from the ATLAS3D project. We study trends between our dynamically derived IMF normalization αdyn ≡ (M/L)stars/(M/L)Salp and absorption line strengths, and interpret these via single stellar population-equivalent ages, abundance ratios (measured as [α/Fe]), and total metallicity, [Z/H]. We find that old and alpha-enhanced galaxies tend to have on average heavier (Salpeter-like) mass normalization of the IMF, but stellar population does not appear to be a good predictor of the IMF, with a large range of αdyn at a given population parameter. As a result, we find weak αdyn-[α/Fe] and αdyn -Age correlations and no significant αdyn -[Z/H] correlation. The observed trends appear significantly weaker than those reported in studies that measure the IMF normalization via the low-mass star demographics inferred through stellar spectral analysis.

Excitons in scintillator materials: Optical properties and electron-energy loss spectra of NaI, LaBr 3, BaI 2, and SrI 2

DOE PAGES

Schleife, Andre; Zhang, Xiao; Li, Qi; ...

2016-11-03

In this paper, materials for scintillator radiation detectors need to fulfill a diverse set of requirements such as radiation hardness and highly specific response to incoming radiation, rendering them a target of current materials design efforts. Even though they are amenable to cutting-edge theoretical spectroscopy techniques, surprisingly many fundamental properties of scintillator materials are still unknown or not well explored. In this work, we use first-principles approaches to thoroughly study the optical properties of four scintillator materials: NaI, LaBr 3, BaI 2, and SrI 2. By solving the Bethe–Salpeter equation for the optical polarization function we study the influence ofmore » excitonic effects on dielectric and electron-energy loss functions. This work sheds light into fundamental optical properties of these four scintillator materials and lays the ground-work for future work that is geared toward accurate modeling and computational materials design of advanced radiation detectors with unprecedented energy resolution.« less

Confinement and Mayer cluster expansions

NASA Astrophysics Data System (ADS)

Bourgine, Jean-Emile

2014-05-01

In this paper, we study a class of grand-canonical partition functions with a kernel depending on a small parameter ɛ. This class is directly relevant to Nekrasov partition functions of 𝒩 = 2 SUSY gauge theories on the 4d Ω-background, for which ɛ is identified with one of the equivariant deformation parameter. In the Nekrasov-Shatashvili limit ɛ→0, we show that the free energy is given by an on-shell effective action. The equations of motion take the form of a TBA equation. The free energy is identified with the Yang-Yang functional of the corresponding system of Bethe roots. We further study the associated canonical model that takes the form of a generalized matrix model. Confinement of the eigenvalues by the short-range potential is observed. In the limit where this confining potential becomes weak, the collective field theory formulation is recovered. Finally, we discuss the connection with the alternative expression of instanton partition functions as sums over Young tableaux.

The open XXX spin chain in the SoV framework: scalar product of separate states

NASA Astrophysics Data System (ADS)

Kitanine, N.; Maillet, J. M.; Niccoli, G.; Terras, V.

2017-06-01

We consider the XXX open spin-1/2 chain with the most general non-diagonal boundary terms, that we solve by means of the quantum separation of variables (SoV) approach. We compute the scalar products of separate states, a class of states which notably contains all the eigenstates of the model. As usual for models solved by SoV, these scalar products can be expressed as some determinants with a non-trivial dependance in terms of the inhomogeneity parameters that have to be introduced for the method to be applicable. We show that these determinants can be transformed into alternative ones in which the homogeneous limit can easily be taken. These new representations can be considered as generalizations of the well-known determinant representation for the scalar products of the Bethe states of the periodic chain. In the particular case where a constraint is applied on the boundary parameters, such that the transfer matrix spectrum and eigenstates can be characterized in terms of polynomial solutions of a usual T-Q equation, the scalar product that we compute here corresponds to the scalar product between two off-shell Bethe-type states. If in addition one of the states is an eigenstate, the determinant representation can be simplified, hence leading in this boundary case to direct analogues of algebraic Bethe ansatz determinant representations of the scalar products for the periodic chain.

The critical 1-arm exponent for the ferromagnetic Ising model on the Bethe lattice

NASA Astrophysics Data System (ADS)

Heydenreich, Markus; Kolesnikov, Leonid

2018-04-01

We consider the ferromagnetic nearest-neighbor Ising model on regular trees (Bethe lattice), which is well-known to undergo a phase transition in the absence of an external magnetic field. The behavior of the model at critical temperature can be described in terms of various critical exponents; one of them is the critical 1-arm exponent ρ which characterizes the rate of decay of the (root) magnetization as a function of the distance to the boundary. The crucial quantity we analyze in this work is the thermal expectation of the root spin on a finite subtree, where the expected value is taken with respect to a probability measure related to the corresponding finite-volume Hamiltonian with a fixed boundary condition. The spontaneous magnetization, which is the limit of this thermal expectation in the distance between the root and the boundary (i.e., in the height of the subtree), is known to vanish at criticality. We are interested in a quantitative analysis of the rate of this convergence in terms of the critical 1-arm exponent ρ. Therefore, we rigorously prove that ⟨σ0⟩ n +, the thermal expectation of the root spin at the critical temperature and in the presence of the positive boundary condition, decays as ⟨σ0 ⟩ n +≈n-1/2 (in a rather sharp sense), where n is the height of the tree. This establishes the 1-arm critical exponent for the Ising model on regular trees (ρ =1/2 ).

Numerical simulations of energy deposition caused by 50 MeV—50 TeV proton beams in copper and graphite targets

NASA Astrophysics Data System (ADS)

Nie, Y.; Schmidt, R.; Chetvertkova, V.; Rosell-Tarragó, G.; Burkart, F.; Wollmann, D.

2017-08-01

The conceptual design of the Future Circular Collider (FCC) is being carried out actively in an international collaboration hosted by CERN, for the post-Large Hadron Collider (LHC) era. The target center-of-mass energy of proton-proton collisions for the FCC is 100 TeV, nearly an order of magnitude higher than for LHC. The existing CERN accelerators will be used to prepare the beams for FCC. Concerning beam-related machine protection of the whole accelerator chain, it is critical to assess the consequences of beam impact on various accelerator components in the cases of controlled and uncontrolled beam losses. In this paper, we study the energy deposition of protons in solid copper and graphite targets, since the two materials are widely used in magnets, beam screens, collimators, and beam absorbers. Nominal injection and extraction energies in the hadron accelerator complex at CERN were selected in the range of 50 MeV-50 TeV. Three beam sizes were studied for each energy, corresponding to typical values of the betatron function. Specifically for thin targets, comparisons between fluka simulations and analytical Bethe equation calculations were carried out, which showed that the damage potential of a few-millimeter-thick graphite target and submillimeter-thick copper foil can be well estimated directly by the Bethe equation. The paper provides a valuable reference for the quick evaluation of potential damage to accelerator elements over a large range of beam parameters when beam loss occurs.

New contributions to physics by Prof. C. N. Yang: 2009-2011

NASA Astrophysics Data System (ADS)

Ma, Zhong-Qi

2016-01-01

In a seminal paper of 1967, Professor Chen Ning Yang found the full solution of the one-dimensional Fermi gas with a repulsive delta function interaction by using the Bethe ansatz and group theory. This work with a brilliant discovery of the Yang-Baxter equation has been inspiring new developments in mathematical physics, statistical physics, and many-body physics. Based on experimental developments in simulating many-body physics of one-dimensional systems of ultracold atoms, during a period from 2009 to 2011, Prof. Yang published seven papers on the exact properties of the ground state of bosonic and fermionic atoms with the repulsive delta function interaction and a confined potential to one dimension. Here I would like to share my experience in doing research work fortunately under the direct supervision of Prof. Yang in that period.

New Contributions to Physics by Prof. C. N. Yang: 2009-2011

NASA Astrophysics Data System (ADS)

Ma, Zhong-Qi

In a seminal paper of 1967, Professor Chen Ning Yang found the full solution of the one-dimensional Fermi gas with a repulsive delta function interaction by using the Bethe ansatz and group theory. This work with a brilliant discovery of the Yang-Baxter equation has been inspiring new developments in mathematical physics, statistical physics, and many-body physics. Based on experimental developments in simulating many-body physics of one-dimensional systems of ultracold atoms, during a period from 2009 to 2011, Prof. Yang published seven papers on the exact properties of the ground state of bosonic and fermionic atoms with the repulsive delta function interaction and a confined potential to one dimension. Here I would like to share my experience in doing research work fortunately under the direct supervision of Prof. Yang in that period.

Electron-Impact Total Ionization Cross Sections of Fluorine Compounds

NASA Astrophysics Data System (ADS)

Kim, Y.-K.; Ali, M. A.; Rudd, M. E.

1997-10-01

A theoretical method called the Binary-Encounter-Bethe (BEB) model(M. A. Ali, Y.-K. Kim, H. Hwang, N. M. Weinberger, and M. E. Rudd, J. Chem. Phys. 106), 9602 (1997), and references therein. that combines the Mott cross section at low incident energies T and the Bethe cross section at high T was applied to fluorine compounds of interest to plasma processing of semiconductors (CF_4, CHF_3, C_2F_6, C_4F_8, etc.). The theory provides total ioniztion cross sections in an analytic form from the threshold to a few keV in T, making it convenient to use the theory for modeling. The theory is particularly effective for closed-shell molecules. The theoretical cross sections are compared to available experimental data.

Integrability and superintegrability of the generalized n-level many-mode Jaynes-Cummings and Dicke models

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

Skrypnyk, T.

2009-10-15

We analyze symmetries of the integrable generalizations of Jaynes-Cummings and Dicke models associated with simple Lie algebras g and their reductive subalgebras g{sub K}[T. Skrypnyk, 'Generalized n-level Jaynes-Cummings and Dicke models, classical rational r-matrices and nested Bethe ansatz', J. Phys. A: Math. Theor. 41, 475202 (2008)]. We show that their symmetry algebras contain commutative subalgebras isomorphic to the Cartan subalgebras of g, which can be added to the commutative algebras of quantum integrals generated with the help of the quantum Lax operators. We diagonalize additional commuting integrals and constructed with their help the most general integrable quantum Hamiltonian of themore » generalized n-level many-mode Jaynes-Cummings and Dicke-type models using nested algebraic Bethe ansatz.« less

Magnonic qudit and algebraic Bethe Ansatz

NASA Astrophysics Data System (ADS)

Lulek, B.; Lulek, T.

2010-03-01

A magnonic qudit is proposed as the memory unit of a register of a quantum computer. It is the N-dimensional space, extracted from the 2N-dimensional space of all quantum states of the magnetic Heisenberg ring of N spins 1/2, as the space of all states of a single magnon. Three bases: positional, momentum, and that of Weyl duality are described, together with appropriate Fourier and Kostka transforms. It is demonstrated how exact Bethe Ansatz (BA) eigenfunctions, classified in terms of rigged string configurations, can be coded using a collection of magnonic qudits. To this aim, the algebraic BA is invoked, such that a single magnonic qudit is prepared in a state corresponding to a magnon in one of the states provided by spectral parameters emerging from the corresponding BA equations.

Cummings/Ju - Harvard; Emory | Division of Cancer Prevention

Cancer.gov

Principal Investigator: Richard D Cummings, PhDInstitution: Beth Israel Deaconess Medical Center and Harvard Medical School, Boston, MA Principal Investigator: Tongzhong Ju, MD, PhDInstitution: Emory University, Atlanta, GA |

Random crystal field effects on the integer and half-integer mixed-spin system

NASA Astrophysics Data System (ADS)

Yigit, Ali; Albayrak, Erhan

2018-05-01

In this work, we have focused on the random crystal field effects on the phase diagrams of the mixed spin-1 and spin-5/2 Ising system obtained by utilizing the exact recursion relations (ERR) on the Bethe lattice (BL). The distribution function P(Di) = pδ [Di - D(1 + α) ] +(1 - p) δ [Di - D(1 - α) ] is used to randomize the crystal field.The phase diagrams are found to exhibit second- and first-order phase transitions depending on the values of α, D and p. It is also observed that the model displays tricritical point, isolated point, critical end point and three compensation temperatures for suitable values of the system parameters.

Uncertainties and Systematic Effects on the estimate of stellar masses in high z galaxies

NASA Astrophysics Data System (ADS)

Salimbeni, S.; Fontana, A.; Giallongo, E.; Grazian, A.; Menci, N.; Pentericci, L.; Santini, P.

2009-05-01

We discuss the uncertainties and the systematic effects that exist in the estimates of the stellar masses of high redshift galaxies, using broad band photometry, and how they affect the deduced galaxy stellar mass function. We use at this purpose the latest version of the GOODS-MUSIC catalog. In particular, we discuss the impact of different synthetic models, of the assumed initial mass function and of the selection band. Using Chariot & Bruzual 2007 and Maraston 2005 models we find masses lower than those obtained from Bruzual & Chariot 2003 models. In addition, we find a slight trend as a function of the mass itself comparing these two mass determinations with that from Bruzual & Chariot 2003 models. As consequence, the derived galaxy stellar mass functions show diverse shapes, and their slope depends on the assumed models. Despite these differences, the overall results and scenario is observed in all these cases. The masses obtained with the assumption of the Chabrier initial mass function are in average 0.24 dex lower than those from the Salpeter assumption, at all redshifts, causing a shift of galaxy stellar mass function of the same amount. Finally, using a 4.5 μm-selected sample instead of a Ks-selected one, we add a new population of highly absorbed, dusty galaxies at z~=2-3 of relatively low masses, yielding stronger constraints on the slope of the galaxy stellar mass function at lower masses.

Lattice density functional theory for confined Ising fluids: comparison between different functional approximations in slit pore

NASA Astrophysics Data System (ADS)

Chen, Xueqian; Feng, Wei; Liu, Honglai; Hu, Ying

2016-09-01

In this paper, Lafuente and Cuesta's cluster density functional theory (CDFT) and lattice mean field approximation (LMFA) are formulated and compared within the framework of lattice density functional theory (LDFT). As a comparison, an LDFT based on our previous work on nonrandom correction to LMFA is also developed, where local density approximation is adopted on the correction. The numerical results of density distributions of an Ising fluid confined in a slit pore obtained from Monte Carlo simulation are used to check these functional approximations. Due to rational treatment on the coupling between site-excluding entropic effect and contact-attracting enthalpic effect by CDFT with Bethe-Peierls approximation (named as BPA-CDFT for short), the improvement of BPA-CDFT beyond LMFA is checked as expected. And it is interesting that our LDFT has a comparative accuracy with BPA-CDFT. Apparent differences between the profiles such as solvation force, excess adsorption quantity and interfacial tension from LMFA and non-LMFAs are found in our calculations. We also discuss some possible theoretical extensions of BPA-CDFT.

Topology and Foundations of Quantum Algorithms

DTIC Science & Technology

2005-07-01

Several visitors to UCSD and IU were also partially supported for short visits: Markus Hunziker, Vaughn Jones, Alexei Kitaev, Burt Kostant, Hanspeter Kraft, Peter Love, Mary Beth Ruskai, Yaoyun Shi and Richard Stong. 5

DOE Research and Development Accomplishments Interesting Insights

Science.gov Websites

There secrets powering the stars [Bethe] Synthesis of the Elements in the Stars [Fowler] blackbody form organic synthesis [Schrock/Grubbs] provided the theoretical explanation of the fractional quantum Hall

77 FR 74479 - Environmental Impacts Statements; Notice of Availability

Federal Register 2010, 2011, 2012, 2013, 2014

2012-12-14

..., Contact: Mary Beth Burandt 888-829-6347. EIS No. 20120386, Final EIS, FTA, MD, Red Line Project... Dunes National Recreation Area, Siuslaw National Forest, Coos, Douglas, and Lane Counties OR, Comment...

Born Hartree Bethe approximation in the theory of inelastic electron molecule scattering

NASA Astrophysics Data System (ADS)

Kretinin, I. Yu; Krisilov, A. V.; Zon, B. A.

2008-11-01

We propose a new approximation in the theory of inelastic electron atom and electron molecule scattering. Taking into account the completeness property of atomic and molecular wavefunctions, considered in the Hartree approximation, and using Bethe's parametrization for electronic excitations during inelastic collisions via the mean excitation energy, we show that the calculation of the inelastic total integral cross-sections (TICS), in the framework of the first Born approximation, involves only the ground-state wavefunction. The final analytical formula obtained for the TICS, i.e. for the sum of elastic and inelastic ones, contains no adjusting parameters. Calculated TICS for electron scattering by light atoms and molecules (He, Ne, and H2) are in good agreement within the experimental data; results show asymptotic coincidence for heavier ones (Ar, Kr, Xe and N2).

NASA Astrophysics Data System (ADS)

Schweber, Silvan S.

2014-06-01

Some facets of the life of Hans Bethe after World War II are presented to illustrate how Paul Forman's works, and in particular his various theses—on mathematics and physics in Wilhelmine and Weimar Germany, on physics in the immediate post-World War II period, and on postmodernity—have influenced my biography of Bethe. Some aspects of the history of post-World War II quantum field theory, of solid state/condensed matter physics, and of the development of neoliberalism—the commitment to the belief that the market knows best, to free trade, to enhanced privatization, and to a drastic reduction of the government's role in regulating the economy—are reviewed in order to make some observations regarding certain "top-down" views in solid state physics in postmodernity, the economic and cultural condition of many Western societies since the 1980s, the decade in which many historians assume modernity to have ended.

Bethe-Boltzmann hydrodynamics and spin transport in the XXZ chain

NASA Astrophysics Data System (ADS)

Bulchandani, Vir B.; Vasseur, Romain; Karrasch, Christoph; Moore, Joel E.

2018-01-01

Quantum integrable systems, such as the interacting Bose gas in one dimension and the XXZ quantum spin chain, have an extensive number of local conserved quantities that endow them with exotic thermalization and transport properties. We discuss recently introduced hydrodynamic approaches for such integrable systems from the viewpoint of kinetic theory and extend the previous works by proposing a numerical scheme to solve the hydrodynamic equations for finite times and arbitrary locally equilibrated initial conditions. We then discuss how such methods can be applied to describe nonequilibrium steady states involving ballistic heat and spin currents. In particular, we show that the spin Drude weight in the XXZ chain, previously accessible only by rigorous techniques of limited scope or controversial thermodynamic Bethe ansatz arguments, may be evaluated from hydrodynamics in very good agreement with density-matrix renormalization group calculations.

Simple and accurate sum rules for highly relativistic systems

NASA Astrophysics Data System (ADS)

Cohen, Scott M.

2005-03-01

In this paper, I consider the Bethe and Thomas-Reiche-Kuhn sum rules, which together form the foundation of Bethe's theory of energy loss from fast charged particles to matter. For nonrelativistic target systems, the use of closure leads directly to simple expressions for these quantities. In the case of relativistic systems, on the other hand, the calculation of sum rules is fraught with difficulties. Various perturbative approaches have been used over the years to obtain relativistic corrections, but these methods fail badly when the system in question is very strongly bound. Here, I present an approach that leads to relatively simple expressions yielding accurate sums, even for highly relativistic many-electron systems. I also offer an explanation for the difference between relativistic and nonrelativistic sum rules in terms of the Zitterbewegung of the electrons.

Solution on the Bethe lattice of a hard core athermal gas with two kinds of particles.

PubMed

Oliveira, Tiago J; Stilck, Jürgen F

2011-11-14

Athermal lattice gases of particles with first neighbor exclusion have been studied for a long time as simple models exhibiting a fluid-solid transition. At low concentration the particles occupy randomly both sublattices, but as the concentration is increased one of the sublattices is occupied preferentially. Here, we study a mixed lattice gas with excluded volume interactions only in the grand-canonical formalism with two kinds of particles: small ones, which occupy a single lattice site and large ones, which, when placed on a site, do not allow other particles to occupy its first neighbors also. We solve the model on a Bethe lattice of arbitrary coordination number q. In the parameter space defined by the activities of both particles, at low values of the activity of small particles (z(1)) we find a continuous transition from the fluid to the solid phase as the activity of large particles (z(2)) is increased. At higher values of z(1) the transition becomes discontinuous, both regimes are separated by a tricritical point. The critical line has a negative slope at z(1) = 0 and displays a minimum before reaching the tricritical point, so that a re-entrant behavior is observed for constant values of z(2) in the region of low density of small particles. The isobaric curves of the total density of particles as a function of the density or the activity of small particles show a minimum in the fluid phase. © 2011 American Institute of Physics

Gauge-free cluster variational method by maximal messages and moment matching.

PubMed

Domínguez, Eduardo; Lage-Castellanos, Alejandro; Mulet, Roberto; Ricci-Tersenghi, Federico

2017-04-01

We present an implementation of the cluster variational method (CVM) as a message passing algorithm. The kind of message passing algorithm used for CVM, usually named generalized belief propagation (GBP), is a generalization of the belief propagation algorithm in the same way that CVM is a generalization of the Bethe approximation for estimating the partition function. However, the connection between fixed points of GBP and the extremal points of the CVM free energy is usually not a one-to-one correspondence because of the existence of a gauge transformation involving the GBP messages. Our contribution is twofold. First, we propose a way of defining messages (fields) in a generic CVM approximation, such that messages arrive on a given region from all its ancestors, and not only from its direct parents, as in the standard parent-to-child GBP. We call this approach maximal messages. Second, we focus on the case of binary variables, reinterpreting the messages as fields enforcing the consistency between the moments of the local (marginal) probability distributions. We provide a precise rule to enforce all consistencies, avoiding any redundancy, that would otherwise lead to a gauge transformation on the messages. This moment matching method is gauge free, i.e., it guarantees that the resulting GBP is not gauge invariant. We apply our maximal messages and moment matching GBP to obtain an analytical expression for the critical temperature of the Ising model in general dimensions at the level of plaquette CVM. The values obtained outperform Bethe estimates, and are comparable with loop corrected belief propagation equations. The method allows for a straightforward generalization to disordered systems.

Gauge-free cluster variational method by maximal messages and moment matching

NASA Astrophysics Data System (ADS)

Domínguez, Eduardo; Lage-Castellanos, Alejandro; Mulet, Roberto; Ricci-Tersenghi, Federico

2017-04-01

We present an implementation of the cluster variational method (CVM) as a message passing algorithm. The kind of message passing algorithm used for CVM, usually named generalized belief propagation (GBP), is a generalization of the belief propagation algorithm in the same way that CVM is a generalization of the Bethe approximation for estimating the partition function. However, the connection between fixed points of GBP and the extremal points of the CVM free energy is usually not a one-to-one correspondence because of the existence of a gauge transformation involving the GBP messages. Our contribution is twofold. First, we propose a way of defining messages (fields) in a generic CVM approximation, such that messages arrive on a given region from all its ancestors, and not only from its direct parents, as in the standard parent-to-child GBP. We call this approach maximal messages. Second, we focus on the case of binary variables, reinterpreting the messages as fields enforcing the consistency between the moments of the local (marginal) probability distributions. We provide a precise rule to enforce all consistencies, avoiding any redundancy, that would otherwise lead to a gauge transformation on the messages. This moment matching method is gauge free, i.e., it guarantees that the resulting GBP is not gauge invariant. We apply our maximal messages and moment matching GBP to obtain an analytical expression for the critical temperature of the Ising model in general dimensions at the level of plaquette CVM. The values obtained outperform Bethe estimates, and are comparable with loop corrected belief propagation equations. The method allows for a straightforward generalization to disordered systems.

Advanced Illness: Holding on and Letting Go

MedlinePlus

... Life Care Association (formerly National Association of Professional Geriatric Care Managers) This professional group offers a listing ... Reviewed by Beth MacLeod, LCSW, Care Consultations and Therapy, San Francisco, CA. © 2013 Family Caregiver Alliance. All ...

An Integrated Picture of Star Formation, Metallicity Evolution, and Galactic Stellar Mass Assembly

NASA Astrophysics Data System (ADS)

Cowie, L. L.; Barger, A. J.

2008-10-01

We present an integrated study of star formation and galactic stellar mass assembly from z = 0.05 to 1.5 and galactic metallicity evolution from z = 0.05 to 0.9 using a very large and highly spectroscopically complete sample selected by rest-frame NIR bolometric flux in the GOODS-N. We assume a Salpeter IMF and fit Bruzual & Charlot models to compute the galactic stellar masses and extinctions. We determine the expected formed stellar mass density growth rates produced by star formation and compare them with the growth rates measured from the formed stellar mass functions by mass interval. We show that the growth rates match if the IMF is slightly increased from the Salpeter IMF at intermediate masses (~10 M⊙). We investigate the evolution of galaxy color, spectral type, and morphology with mass and redshift and the evolution of mass with environment. We find that applying extinction corrections is critical when analyzing galaxy colors; e.g., nearly all of the galaxies in the green valley are 24 μm sources, but after correcting for extinction, the bulk of the 24 μm sources lie in the blue cloud. We find an evolution of the metallicity-mass relation corresponding to a decrease of 0.21 +/- 0.03 dex between the local value and the value at z = 0.77 in the 1010-1011 M⊙ range. We use the metallicity evolution to estimate the gas mass of the galaxies, which we compare with the galactic stellar mass assembly and star formation histories. Overall, our measurements are consistent with a galaxy evolution process dominated by episodic bursts of star formation and where star formation in the most massive galaxies (gtrsim1011 M⊙) ceases at z < 1.5 because of gas starvation. Based in part on data obtained at the W. M. Keck Observatory, which is operated as a scientific partnership among the California Institute of Technology, the University of California, and NASA and was made possible by the generous financial support of the W. M. Keck Foundation.

Wave function for harmonically confined electrons in time-dependent electric and magnetostatic fields.

PubMed

Zhu, Hong-Ming; Chen, Jin-Wang; Pan, Xiao-Yin; Sahni, Viraht

2014-01-14

We derive via the interaction "representation" the many-body wave function for harmonically confined electrons in the presence of a magnetostatic field and perturbed by a spatially homogeneous time-dependent electric field-the Generalized Kohn Theorem (GKT) wave function. In the absence of the harmonic confinement - the uniform electron gas - the GKT wave function reduces to the Kohn Theorem wave function. Without the magnetostatic field, the GKT wave function is the Harmonic Potential Theorem wave function. We further prove the validity of the connection between the GKT wave function derived and the system in an accelerated frame of reference. Finally, we provide examples of the application of the GKT wave function.

R matrices of three-state Hamiltonians solvable by coordinate Bethe ansatz

NASA Astrophysics Data System (ADS)

Fonseca, T.; Frappat, L.; Ragoucy, E.

2015-01-01

We review some of the strategies that can be implemented to infer an R-matrix from the knowledge of its Hamiltonian. We apply them to the classification achieved in Crampé, Frappat, and Ragoucy, J. Phys. A 46, 405001 (2013), on three state U(1)-invariant Hamiltonians solvable by coordinate Bethe ansatz, focusing on models for which the S-matrix is not trivial. For the 19-vertex solutions, we recover the R-matrices of the well-known Zamolodchikov-Fateev and Izergin-Korepin models. We point out that the generalized Bariev Hamiltonian is related to both main and special branches studied by Martins in Nucl. Phys. B 874, 243 (2013), that we prove to generate the same Hamiltonian. The 19-vertex SpR model still resists to the analysis, although we are able to state some no-go theorems on its R-matrix. For 17-vertex Hamiltonians, we produce a new R-matrix.

Quantum criticality in the spin-1/2 Heisenberg chain system copper pyrazine dinitrate

PubMed Central

Breunig, Oliver; Garst, Markus; Klümper, Andreas; Rohrkamp, Jens; Turnbull, Mark M.; Lorenz, Thomas

2017-01-01

Low-dimensional quantum magnets promote strong correlations between magnetic moments that lead to fascinating quantum phenomena. A particularly interesting system is the antiferromagnetic spin-1/2 Heisenberg chain because it is exactly solvable by the Bethe-Ansatz method. It is approximately realized in the magnetic insulator copper pyrazine dinitrate, providing a unique opportunity for a quantitative comparison between theory and experiment. We investigate its thermodynamic properties with a particular focus on the field-induced quantum phase transition. Thermal expansion, magnetostriction, specific heat, magnetization, and magnetocaloric measurements are found to be in excellent agreement with exact Bethe-Ansatz predictions. Close to the critical field, thermodynamics obeys the expected quantum critical scaling behavior, and in particular, the magnetocaloric effect and the Grüneisen parameters diverge in a characteristic manner. Beyond its importance for quantum magnetism, our study establishes a paradigm of a quantum phase transition, which illustrates fundamental principles of quantum critical thermodynamics. PMID:29282449

Simple and Accurate Method for Central Spin Problems

NASA Astrophysics Data System (ADS)

Lindoy, Lachlan P.; Manolopoulos, David E.

2018-06-01

We describe a simple quantum mechanical method that can be used to obtain accurate numerical results over long timescales for the spin correlation tensor of an electron spin that is hyperfine coupled to a large number of nuclear spins. This method does not suffer from the statistical errors that accompany a Monte Carlo sampling of the exact eigenstates of the central spin Hamiltonian obtained from the algebraic Bethe ansatz, or from the growth of the truncation error with time in the time-dependent density matrix renormalization group (TDMRG) approach. As a result, it can be applied to larger central spin problems than the algebraic Bethe ansatz, and for longer times than the TDMRG algorithm. It is therefore an ideal method to use to solve central spin problems, and we expect that it will also prove useful for a variety of related problems that arise in a number of different research fields.

Collisional excitation of the highly excited hydrogen atoms in the dipole form of the semiclassical impact parameter and Born approximations

NASA Technical Reports Server (NTRS)

Omidvar, K.

1971-01-01

Expressions for the excitation cross section of the highly excited states of the hydrogenlike atoms by fast charged particles have been derived in the dipole approximation of the semiclassical impact parameter and the Born approximations, making use of a formula for the asymptotic expansion of the oscillator strength of the hydrogenlike atoms given by Menzel. When only the leading term in the asymptotic expansion is retained, the expression for the cross section becomes identical to the expression obtained by the method of the classical collision and correspondence principle given by Percival and Richards. Comparisons are made between the Bethe coefficients obtained here and the Bethe coefficients of the Born approximation for transitions where the Born calculation is available. Satisfactory agreement is obtained only for n yields n + 1 transitions, with n the principal quantum number of the excited state.

How Inhomogeneous Site Percolation Works on Bethe Lattices: Theory and Application

NASA Astrophysics Data System (ADS)

Ren, Jingli; Zhang, Liying; Siegmund, Stefan

2016-03-01

Inhomogeneous percolation, for its closer relationship with real-life, can be more useful and reasonable than homogeneous percolation to illustrate the critical phenomena and dynamical behaviour of complex networks. However, due to its intricacy, the theoretical framework of inhomogeneous percolation is far from being complete and many challenging problems are still open. In this paper, we first investigate inhomogeneous site percolation on Bethe Lattices with two occupation probabilities, and then extend the result to percolation with m occupation probabilities. The critical behaviour of this inhomogeneous percolation is shown clearly by formulating the percolation probability with given occupation probability p, the critical occupation probability , and the average cluster size where p is subject to . Moreover, using the above theory, we discuss in detail the diffusion behaviour of an infectious disease (SARS) and present specific disease-control strategies in consideration of groups with different infection probabilities.

Bethe lattice approach and relaxation dynamics study of spin-crossover materials

NASA Astrophysics Data System (ADS)

Oke, Toussaint Djidjoho; Hontinfinde, Félix; Boukheddaden, Kamel

2015-07-01

Dynamical properties of Prussian blue analogs and spin-crossover materials are investigated in the framework of a Blume-Emery-Griffiths (BEG) spin-1 model, where states ±1 and 0 represent the high-spin (HS) state and the low-spin state, respectively. The quadrupolar interaction depends on the temperature in the form . Magnetic interactions are controlled by a factor such that for (), magnetic ordering is not expected. The model is exactly solved using the Bethe lattice approach for the equilibrium properties. The results are closer to those calculated by numerical simulations with suitable Arrhenius-type transition rates. The study of relaxation processes of non-equilibrium HS states revealed one-step nonlinear sigmoidal relaxation curves of the HS fraction at low temperatures. We found that increasing the magnetic interactions leads to the appearance of a plateau in the thermal hysteresis as well as in the relaxation curves of the HS fraction at low temperature.

The integrable quantum group invariant A2n-1(2) and Dn+1(2) open spin chains

NASA Astrophysics Data System (ADS)

Nepomechie, Rafael I.; Pimenta, Rodrigo A.; Retore, Ana L.

2017-11-01

A family of A2n(2) integrable open spin chains with Uq (Cn) symmetry was recently identified in arxiv:arXiv:1702.01482. We identify here in a similar way a family of A2n-1(2) integrable open spin chains with Uq (Dn) symmetry, and two families of Dn+1(2) integrable open spin chains with Uq (Bn) symmetry. We discuss the consequences of these symmetries for the degeneracies and multiplicities of the spectrum. We propose Bethe ansatz solutions for two of these models, whose completeness we check numerically for small values of n and chain length N. We find formulas for the Dynkin labels in terms of the numbers of Bethe roots of each type, which are useful for determining the corresponding degeneracies. In an appendix, we briefly consider Dn+1(2) chains with other integrable boundary conditions, which do not have quantum group symmetry.

Statistical analysis of loopy belief propagation in random fields

NASA Astrophysics Data System (ADS)

Yasuda, Muneki; Kataoka, Shun; Tanaka, Kazuyuki

2015-10-01

Loopy belief propagation (LBP), which is equivalent to the Bethe approximation in statistical mechanics, is a message-passing-type inference method that is widely used to analyze systems based on Markov random fields (MRFs). In this paper, we propose a message-passing-type method to analytically evaluate the quenched average of LBP in random fields by using the replica cluster variation method. The proposed analytical method is applicable to general pairwise MRFs with random fields whose distributions differ from each other and can give the quenched averages of the Bethe free energies over random fields, which are consistent with numerical results. The order of its computational cost is equivalent to that of standard LBP. In the latter part of this paper, we describe the application of the proposed method to Bayesian image restoration, in which we observed that our theoretical results are in good agreement with the numerical results for natural images.

Asymptotic correlation functions and FFLO signature for the one-dimensional attractive Hubbard model

NASA Astrophysics Data System (ADS)

Cheng, Song; Jiang, Yuzhu; Yu, Yi-Cong; Batchelor, Murray T.; Guan, Xi-Wen

2018-04-01

We study the long-distance asymptotic behavior of various correlation functions for the one-dimensional (1D) attractive Hubbard model in a partially polarized phase through the Bethe ansatz and conformal field theory approaches. We particularly find the oscillating behavior of these correlation functions with spatial power-law decay, of which the pair (spin) correlation function oscillates with a frequency ΔkF (2 ΔkF). Here ΔkF = π (n↑ -n↓) is the mismatch in the Fermi surfaces of spin-up and spin-down particles. Consequently, the pair correlation function in momentum space has peaks at the mismatch k = ΔkF, which has been observed in recent numerical work on this model. These singular peaks in momentum space together with the spatial oscillation suggest an analog of the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) state in the 1D Hubbard model. The parameter β representing the lattice effect becomes prominent in critical exponents which determine the power-law decay of all correlation functions. We point out that the backscattering of unpaired fermions and bound pairs within their own Fermi points gives a microscopic origin of the FFLO pairing in 1D.

Committees

NASA Astrophysics Data System (ADS)

2003-08-01

Born in Buenos Aires, Argentina, in 1930, Alberto Sirlin studied at the University of Buenos Aires from 1948-52, where he carried out research work in classical nonlinear physics, under the guidance of Richard Gans, and in 1953 received the degree of doctor in Physical-Mathematical Sciences. In 1953 he held a fellowship at the Centro Brasileiro de Pesquisas Fisicas in Rio de Janeiro, Brazil, where he did research work and attended some graduate courses, including a memorable and highly influential one taught by Richard Feynman. He spent the academic year 1954-55 at UCLA, where he initiated his work on electroweak physics in collaboration with Robert Finkelstein and Ralph Behrends. His next move was to Cornell University in 1955, earning his PhD there in 1958 for research in electroweak physics in collaboration with Toichiro Kinoshita. Sirlin spent 1957-59 as a research associate at Columbia University, becoming an Assistant Professor of Physics at New York University in 1959, an Associate Professor in 1961, and a full Professor in 1968. It is a remarkable coincidence that one of his fellow post-docs, Steven Weinberg, was to become one of the founders of the Standard Model, which in turn has provided the natural setting for Sirlin's work. During his formative years, he was extremely fortunate to receive guidance and advice from an extraordinary group of distinguished scientists, including R Gans, R P Feynman, R J Finkelstein, H A Bethe and E E Salpeter. He also enjoyed close and fruitful long-term collaborations with a number of brilliant theorists, including R E Behrends, T Kinoshita, T D Lee, M A B Beg, W J Marciano, P Langacker, G Degrassi, P Gambino and B A Kniehl, and has had fourteen excellent, interesting, and highly enterprising graduate students, who have remained close friends. Sirlin's main research interests have been in precision electroweak physics, other topics in weak interaction theory, the search for higher symmetries of the strong interactions, non-topological solitons, theorems on symmetry breaking, some aspects of QCD, dimensional regularization of infrared divergences, the study of mass singularities, and the theoretical treatment of unstable particles. Sirlin is a fellow of the American Physical Society. In 1983 he was awarded a Guggenheim fellowship and in 1997 received an Alexander von Humboldt Award. In 2002, he shared with William J Marciano the J J Sakurai Prize for Theoretical Particle Physics, awarded by the American Physical Society. M Porrati Professor of Physics, New York University, USA Alberto Sirlin

Periodic p-adic Gibbs Measures of q-State Potts Model on Cayley Trees I: The Chaos Implies the Vastness of the Set of p-Adic Gibbs Measures

NASA Astrophysics Data System (ADS)

Ahmad, Mohd Ali Khameini; Liao, Lingmin; Saburov, Mansoor

2018-06-01

We study the set of p-adic Gibbs measures of the q-state Potts model on the Cayley tree of order three. We prove the vastness of the set of the periodic p-adic Gibbs measures for such model by showing the chaotic behavior of the corresponding Potts-Bethe mapping over Q_p for the prime numbers p≡1 (mod 3). In fact, for 0< |θ -1|_p< |q|_p^2 < 1 where θ =\\exp _p(J) and J is a coupling constant, there exists a subsystem that is isometrically conjugate to the full shift on three symbols. Meanwhile, for 0< |q|_p^2 ≤ |θ -1|_p< |q|_p < 1, there exists a subsystem that is isometrically conjugate to a subshift of finite type on r symbols where r ≥ 4. However, these subshifts on r symbols are all topologically conjugate to the full shift on three symbols. The p-adic Gibbs measures of the same model for the prime numbers p=2,3 and the corresponding Potts-Bethe mapping are also discussed. On the other hand, for 0< |θ -1|_p< |q|_p < 1, we remark that the Potts-Bethe mapping is not chaotic when p=3 and p≡ 2 (mod 3) and we could not conclude the vastness of the set of the periodic p-adic Gibbs measures. In a forthcoming paper with the same title, we will treat the case 0< |q|_p ≤ |θ -1|_p < 1 for all prime numbers p.

The stopping power and energy straggling of the energetic C and O ions in polyimide

NASA Astrophysics Data System (ADS)

Mikšová, R.; Macková, A.; Slepička, P.

2016-03-01

The stopping power and energy straggling of 12Cn+ and 16On+ heavy ions in the energy range 5.3-8.0 MeV in 8 μm thick polyimide (PI) foil were measured by means of an indirect transmission method using a half-covered a PIPS detector. Ions scattered from thin gold layer, under the scattering angle 150° were detected and the spectrum of ions penetrating the PI foil and without foil was recorded. The values of the experimentally determined stopping powers were compared to the calculated data by SRIM-2013 and MSTAR codes. Measured data were in good agreement with data calculated by SRIM-2013, especially for C ions was observed better agreement than for O ions. The energy straggling was determined and compared to those calculated by using Bohr's, Bethe-Livingston and Yang models. The measured energy straggling values in the PI foil was corrected for foil roughness and thickness inhomogeneity determined from AFM. Bethe-Livingston predicting formula has been modified to make it appropriate for thicker targets. The energy straggling determined in our experiment was obtained higher than Bohr's predicted value; the predictions by Yang are in good agreement with our experiment. Bethe-Livingston formulation of the energy straggling shows better agreement with the experimental data after the modified formula implementation which assumes that the thick target was consisted to be composed of n-number of thin layers. Influence of the charge-exchange phenomena to the energy straggling of C and O ions in PI was discussed.

NGC 1614: A Laboratory for Starburst Evolution

NASA Technical Reports Server (NTRS)

Alonso-Herrero, A.; Engelbracht, C. W.; Rieke, M. J.; Rieke, G. H.; Quillen, A. C.

2000-01-01

The modest extinction and reasonably face-on viewing geometry make the luminous infrared galaxy NGC 1614 an ideal laboratory for study of a powerful starburst. HST/NICMOS observations show: (1) deep CO stellar absorption, tracing a starburst nucleus about 45 pc in diameter; (2) surrounded by an approx. 600 pc diameter ring of supergiant H II regions revealed in Pa-alpha line emission; (3) lying within a molecular ring indicated by its extinction shadow in H - K; and (4) all at the center of a disturbed spiral galaxy. The luminosities of the giant H II regions in the ring axe extremely high, an order of magnitude brighter than 30 Doradus; very luminous H II regions, comparable with 30 Dor, are also found in the spiral arms of the galaxy. Luminous stellar clusters surround the nucleus and lie in the spiral arms, similar to clusters observed in other infrared luminous and ultraluminous galaxies. The star forming activity may have been initiated by a merger between a disk galaxy and a companion satellite, whose nucleus appears in projection about 300 pc to the NE of the nucleus of the primary galaxy. The relation of deep stellar CO bands to surrounding ionized gas ring to molecular gas indicates that the luminous starburst started in the nucleus and is propagating outward into the surrounding molecular ring. This hypothesis is supported by evolutionary starburst modeling that shows that the properties of NGC 1614 can be fitted with two short-lived bursts of star formation separated by 5 Myr (and by inference by a variety of models with a similar duration of star formation). The total dynamical mass of the starburst region of 1.3 x 10(exp 9) solar masses is mostly accounted for by the old pre-starburst stellar population. Although our starburst models use a modified Salpeter initial mass function (turning over near one solar mass), the tight mass budget suggests that the IMF may contain relatively more 10 - 30 solar masses stars and fewer low mass stars than the Salpeter function. The dynamical mass is nearly four times smaller than the mass of molecular gas estimated from the standard ratio of (C-12)O (1 - 0) to H2. A number of arguments place the mass of gas in the starburst region at approx. 25% of the dynamical mass, nominally about 1/15 and with an upper limit of 1/10 of the amount estimated from (C-12)O and the standard ratio.

Pycnonuclear reaction rates for binary ionic mixtures

NASA Technical Reports Server (NTRS)

Ichimaru, S.; Ogata, S.; Van Horn, H. M.

1992-01-01

Through a combination of compositional scaling arguments and examinations of Monte Carlo simulation results for the interparticle separations in binary-ionic mixture (BIM) solids, we have derived parameterized expressions for the BIM pycnonuclear rates as generalizations of those in one-component solids obtained previously by Salpeter and Van Horn and by Ogata et al. We have thereby discovered a catalyzing effect of the heavier elements, which enhances the rates of reactions among the lighter elements when the charge ratio exceeds a critical value of approximately 2.3.

Reforming the American Military Officer Personnel System

DTIC Science & Technology

2015-12-02

Lamping Lewis, Henry Leonard, Julia Pollak, Christopher Guo and Bernard Rostker, Tour Lengths, Permanent Changes of Station, and Alternatives for...Raymond E. Conley, Stephanie Young, William A. Williams, Jeffrey Engstrom, Barbara Bicksler, Sara Beth Elson, Joseph Jenkins , Lianne Kennedy

Technical Note: On the calculation of stopping-power ratio for stoichiometric calibration in proton therapy

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

Ödén, Jakob; Zimmerman, Jens; Nowik, Patrik

2015-09-15

Purpose: The quantitative effects of assumptions made in the calculation of stopping-power ratios (SPRs) are investigated, for stoichiometric CT calibration in proton therapy. The assumptions investigated include the use of the Bethe formula without correction terms, Bragg additivity, the choice of I-value for water, and the data source for elemental I-values. Methods: The predictions of the Bethe formula for SPR (no correction terms) were validated against more sophisticated calculations using the SRIM software package for 72 human tissues. A stoichiometric calibration was then performed at our hospital. SPR was calculated for the human tissues using either the assumption of simplemore » Bragg additivity or the Seltzer-Berger rule (as used in ICRU Reports 37 and 49). In each case, the calculation was performed twice: First, by assuming the I-value of water was an experimentally based value of 78 eV (value proposed in Errata and Addenda for ICRU Report 73) and second, by recalculating the I-value theoretically. The discrepancy between predictions using ICRU elemental I-values and the commonly used tables of Janni was also investigated. Results: Errors due to neglecting the correction terms to the Bethe formula were calculated at less than 0.1% for biological tissues. Discrepancies greater than 1%, however, were estimated due to departures from simple Bragg additivity when a fixed I-value for water was imposed. When the I-value for water was calculated in a consistent manner to that for tissue, this disagreement was substantially reduced. The difference between SPR predictions when using Janni’s or ICRU tables for I-values was up to 1.6%. Experimental data used for materials of relevance to proton therapy suggest that the ICRU-derived values provide somewhat more accurate results (root-mean-square-error: 0.8% versus 1.6%). Conclusions: The conclusions from this study are that (1) the Bethe formula can be safely used for SPR calculations without correction terms; (2) simple Bragg additivity can be reasonably assumed for compound materials; (3) if simple Bragg additivity is assumed, then the I-value for water should be calculated in a consistent manner to that of the tissue of interest (rather than using an experimentally derived value); (4) the ICRU Report 37 I-values may provide a better agreement with experiment than Janni’s tables.« less

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

NASA Astrophysics Data System (ADS)

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

Relativistic distorted-wave collision strengths have been calculated for all possible Δn = 0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤ 92. This choice produces 3 transitions with n = 2 in the Li-like and F-like ions, and 10 transitions with n = 3 in the Na-like ions. For the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E‧ = 0.008 , 0.04 , 0.10 , 0.21 , 0.41, and 0.75, where E‧ is in units of Zeff2 Ry with Zeff = Z - 1.66 for Li-like ions and Zeff = Z - 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E‧ = 0.0025 , 0.015 , 0.04 , 0.10 , 0.21, and 0.40, with Zeff = Z - 8.34. In the present calculations, an improved "top-up" method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb-Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. The collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.

Relativistic distorted-wave collision strengths for Δn = 0 transitions in the 67 Li-like, F-like and Na-like ions with 26 ≤ Z ≤ 92

DOE PAGES

Fontes, Christopher J.; Zhang, Hong Lin

2017-01-01

We calculated relativistic distorted-wave collision strength for all possible Δn=0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤92. This choice produces 3 transitions with n=2 in the Li-like and F-like ions, and 10 transitions with n=3 in the Na-like ions. Moreover, for the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E'=0.008,0.04,0.10,0.21,0.41, and 0.75, where E' is in units of Zmore » $$2\\atop{eff}$$ Ry with Z eff = Z- 1.66 for Li-like ions and Z eff= Z- 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E'=0.0025,0.015,0.04,0.10,0.21, and 0.40, with Z eff = Z- 8.34. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. Finally, the collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.« less

Chapter 6 Quantum Mechanical Methods for Loss-Excitation and Loss-Ionization in Fast Ion-Atom Collisions

NASA Astrophysics Data System (ADS)

Belkic, Dzevad

Inelastic collisions between bare nuclei and hydrogen-like atomic systems are characterized by three main channels: electron capture, excitation, and ionization. Capture dominates at lower energies, whereas excitation and ionization prevail at higher impact energies. At intermediate energies and in the region of resonant scattering near the Massey peak, all three channels become competitive. For dressed or clothed nuclei possessing electrons, such as hydrogen-like ions, several additional channels open up, including electron loss (projectile ionization or stripping). The most important aspect of electron loss is the competition between one- and two-electron processes. Here, in a typical one-electron process, the projectile emits an electron, whereas the target final and initial states are the same. A prototype of double-electron transitions in loss processes is projectile ionization accompanied with an alteration of the target state. In such a two-electron process, the target could be excited or ionized. The relative importance of these loss channels with single- and double-electron transitions involving collisions of dressed projectiles with atomic systems is also strongly dependent on the value of the impact energy. Moreover, impact energies determine which theoretical method is likely to be more appropriate to use for predictions of cross sections. At low energies, an expansion of total scattering wave functions in terms of molecular orbitals is adequate. This is because the projectile spends considerable time in the vicinity of the target, and as a result, a compound system comprised of the projectile and the target can be formed in a metastable molecular state which is prone to decay. At high energies, a perturbation series expansion is more appropriate in terms of powers of interaction potentials. In the intermediate energy region, atomic orbitals are often used with success while expanding the total scattering wave functions. The present work is focused on quantum mechanical perturbation theories applied to electron loss collisions involving two hydrogen-like atoms. Both the one- and two-electron transitions (target unaffected by collision, as well as loss-ionization) are thoroughly examined in various intervals of impact energies varying from the threshold via the Massey peak to the Bethe asymptotic region. Systematics are established for the fast, simple, and accurate computations of cross sections for loss-excitation and loss-ionization accounting for the entire spectra of all four particles, including two free electrons and two free protons. The expounded algorithmic strategy of quantum mechanical methodologies is of great importance for wide applications to particle transport physics, especially in fusion research and hadron radiotherapy. This should advantageously replace the current overwhelming tendency in these fields for using phenomenological modeling with artificial functions extracted from fitting the existing experimental/theoretical data bases for cross sections.

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

Fontes, Christopher J.; Zhang, Hong Lin

We calculated relativistic distorted-wave collision strength for all possible Δn=0 transitions, where n denotes the valence shell of the ground level, in the 67 Li-like, F-like and Na-like ions with Z in the range 26 ≤ Z ≤92. This choice produces 3 transitions with n=2 in the Li-like and F-like ions, and 10 transitions with n=3 in the Na-like ions. Moreover, for the Li-like and F-like ions, the calculations were made for the six final, or scattered, electron energies E'=0.008,0.04,0.10,0.21,0.41, and 0.75, where E' is in units of Zmore » $$2\\atop{eff}$$ Ry with Z eff = Z- 1.66 for Li-like ions and Z eff= Z- 6.667 for F-like ions. For the Na-like ions, the calculations were made for the six final electron energies E'=0.0025,0.015,0.04,0.10,0.21, and 0.40, with Z eff = Z- 8.34. In the present calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous works by Zhang, Sampson and Fontes [H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 31; H.L. Zhang, D.H. Sampson, C.J. Fontes, At. Data Nucl. Data Tables 48 (1991) 25; D.H. Sampson, H.L. Zhang, C.J. Fontes, At. Data Nucl. Data Tables 44 (1990) 209]. In those previous works, collision strengths were also provided for Li-, F- and Na-like ions, but for a more comprehensive set of transitions. Finally, the collision strengths covered in the present work should be more accurate than the corresponding data given in those previous works and are presented here to replace those earlier results.« less

Nuclear Astrophysics Before 1957

NASA Astrophysics Data System (ADS)

Salpeter, Edwin E.

I discuss especially my summer with Willy Fowler at Kellogg Radiation Laboratory in 1951, where I did my `triple alpha' work. I also go back even earlier to Arthur Eddington and Hans Bethe. The 1953 summer school in Ann Arbor only gets a mention.

Paraprofessionals in Education Today.

ERIC Educational Resources Information Center

Gartner, Alan, Ed.; And Others

Included are articles on the Education Professions Development Act, an inside perspective (Don Davies); paraprofessionals in education for handicapped children (Mary-Beth Fafard, Musette El-Mohammed, Alan Gartner, Gina Schuster); paraprofessionals in preschool program, especially Project Head Start (A. Carla Drije); the paraprofessional in follow…

Vanadium fine-structure K-shell electron impact ionization cross sections for fast-electron diagnostic in laser–solid experiments

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

Palmeri, P., E-mail: patrick.palmeri@umons.ac.be; Quinet, P., E-mail: pascal.quinet@umons.ac.be; IPNAS, Université de Liège, B-4000 Liège

2015-09-15

The K-shell electron impact ionization (EII) cross section, along with the K-shell fluorescence yield, is one of the key atomic parameters for fast-electron diagnostic in laser–solid experiments through the K-shell emission cross section. In addition, in a campaign dedicated to the modeling of the K lines of astrophysical interest (Palmeri et al. (2012)), the K-shell fluorescence yields for the K-vacancy fine-structure atomic levels of all the vanadium isonuclear ions have been calculated. In this study, the K-shell EII cross sections connecting the ground and the metastable levels of the parent vanadium ions to the daughter ions K-vacancy levels considered in Palmerimore » et al. (2012) have been determined. The relativistic distorted-wave (DW) approximation implemented in the FAC atomic code has been used for the incident electron kinetic energies up to 20 times the K-shell threshold energies. Moreover, the resulting DW cross sections have been extrapolated at higher energies using the asymptotic behavior of the modified relativistic binary encounter Bethe model (MRBEB) of Guerra et al. (2012) with the density-effect correction proposed by Davies et al. (2013)« less

Chemical Bonding: The Orthogonal Valence-Bond View

PubMed Central

Sax, Alexander F.

2015-01-01

Chemical bonding is the stabilization of a molecular system by charge- and spin-reorganization processes in chemical reactions. These processes are said to be local, because the number of atoms involved is very small. With multi-configurational self-consistent field (MCSCF) wave functions, these processes can be calculated, but the local information is hidden by the delocalized molecular orbitals (MO) used to construct the wave functions. The transformation of such wave functions into valence bond (VB) wave functions, which are based on localized orbitals, reveals the hidden information; this transformation is called a VB reading of MCSCF wave functions. The two-electron VB wave functions describing the Lewis electron pair that connects two atoms are frequently called covalent or neutral, suggesting that these wave functions describe an electronic situation where two electrons are never located at the same atom; such electronic situations and the wave functions describing them are called ionic. When the distance between two atoms decreases, however, every covalent VB wave function composed of non-orthogonal atomic orbitals changes its character from neutral to ionic. However, this change in the character of conventional VB wave functions is hidden by its mathematical form. Orthogonal VB wave functions composed of orthonormalized orbitals never change their character. When localized fragment orbitals are used instead of atomic orbitals, one can decide which local information is revealed and which remains hidden. In this paper, we analyze four chemical reactions by transforming the MCSCF wave functions into orthogonal VB wave functions; we show how the reactions are influenced by changing the atoms involved or by changing their local symmetry. Using orthogonal instead of non-orthogonal orbitals is not just a technical issue; it also changes the interpretation, revealing the properties of wave functions that remain otherwise undetected. PMID:25906476

FRAGMENTATION AND EVOLUTION OF MOLECULAR CLOUDS. II. THE EFFECT OF DUST HEATING

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

Urban, Andrea; Evans, Neal J.; Martel, Hugo

2010-02-20

We investigate the effect of heating by luminosity sources in a simulation of clustered star formation. Our heating method involves a simplified continuum radiative transfer method that calculates the dust temperature. The gas temperature is set by the dust temperature. We present the results of four simulations; two simulations assume an isothermal equation of state and the two other simulations include dust heating. We investigate two mass regimes, i.e., 84 M{sub sun} and 671 M{sub sun}, using these two different energetics algorithms. The mass functions for the isothermal simulations and simulations that include dust heating are drastically different. In themore » isothermal simulation, we do not form any objects with masses above 1 M{sub sun}. However, the simulation with dust heating, while missing some of the low-mass objects, forms high-mass objects ({approx}20 M{sub sun}) which have a distribution similar to the Salpeter initial mass function. The envelope density profiles around the stars formed in our simulation match observed values around isolated, low-mass star-forming cores. We find the accretion rates to be highly variable and, on average, increasing with final stellar mass. By including radiative feedback from stars in a cluster-scale simulation, we have determined that it is a very important effect which drastically affects the mass function and yields important insights into the formation of massive stars.« less

The Core Mass Function in the Massive Protocluster G286.21+0.17 Revealed by ALMA

NASA Astrophysics Data System (ADS)

Cheng, Yu; Tan, Jonathan C.; Liu, Mengyao; Kong, Shuo; Lim, Wanggi; Andersen, Morten; Da Rio, Nicola

2018-02-01

We study the core mass function (CMF) of the massive protocluster G286.21+0.17 with the Atacama Large Millimeter/submillimeter Array via 1.3 mm continuum emission at a resolution of 1.″0 (2500 au). We have mapped a field of 5.‧3 × 5.‧3 centered on the protocluster clump. We measure the CMF in the central region, exploring various core detection algorithms, which give source numbers ranging from 60 to 125, depending on parameter selection. We estimate completeness corrections due to imperfect flux recovery and core identification via artificial core insertion experiments. For masses M ≳ 1 M ⊙, the fiducial dendrogram-identified CMF can be fit with a power law of the form dN/dlog M ∝ M ‑α with α ≃ 1.24 ± 0.17, slightly shallower than, but still consistent with, the index of the Salpeter stellar initial mass function of 1.35. Clumpfind-identified CMFs are significantly shallower with α ≃ 0.64 ± 0.13. While raw CMFs show a peak near 1 M ⊙, completeness-corrected CMFs are consistent with a single power law extending down to ∼0.5 M ⊙, with only a tentative indication of a shallowing of the slope around ∼1 M ⊙. We discuss the implications of these results for star and star cluster formation theories.

Missing energies at pair creation

NASA Technical Reports Server (NTRS)

El-Ela, A. A.; Hassan, S.; Bagge, E. R.

1985-01-01

Wilson cloud chamber measurements of the separated spectra of positrons and electrons produced by gamma quanta of 6.14 MeV differ considerably from the theoretically predicted spectra by BETHE and HEITLER, but are in good agreement with those of a modified theory of pair creation.

Making Team Differences Work

ERIC Educational Resources Information Center

Strathman, Beth

2015-01-01

Most district and school leaders understand that recruiting group members who have differing backgrounds, perspectives, talents, and personalities makes for good decision-making. Unfortunately, simply assembling a variety of top-notch individuals does not necessarily mean their talents and perspectives will be fully considered. Beth Strathman…

1. Historic American Buildings Survey EAST AND SOUTH ELEVATIONS BEFORE ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

1. Historic American Buildings Survey EAST AND SOUTH ELEVATIONS BEFORE ADDITION OF PORCH, ALTERATION OF WINDOWS From the Collection of the Title Insurance Company, SanDiego, Negative FEP - 1323 - Temple Beth Israel, 1502 Second Avenue, San Diego, San Diego County, CA

Strategies for Success

ERIC Educational Resources Information Center

Training, 2012

2012-01-01

"Training" magazine taps 2012 Training Top 125 winners and Top 10 Hall of Famers to provide their learning and development best practices in each issue. In this article, Jamie Leitch (American Infrastructure) and Mary Beth Alexander (The Economical Insurance Group) share strategies for tuition reimbursement and professional designations.

Policies for Managing Reductions in Military End Strength: Using Incentive Pays to Draw Down the Force

DTIC Science & Technology

2016-01-01

Michael G. Mattock, James Hosek, Beth J. Asch Policies for Managing Reductions in Military End Strength Using Incentive Pays to Draw Down the...5 Voluntary Separation Incentive and...Using Incentives to Draw Down the Force

Cross sections for electron scattering from furan molecules: Measurements and calculations

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

Szmytkowski, Czeslaw; Mozejko, Pawel; Ptasinska-Denga, Elzbieta

Electron-scattering cross sections have been determined for the furan (C{sub 4}H{sub 4}O) molecule, both experimentally and theoretically. An absolute total cross section (TCS) has been measured over energies from 0.6 to 400 eV using a linear electron-transmission method. The TCS energy function is dominated with a very broad enhancement, between 1.2 and 9 eV; on the low-energy side, some resonant structures are visible. Integral elastic (ECS) and ionization (ICS) cross sections have been also calculated up to 4 keV in the additivity rule approximation and the binary-encounter-Bethe approach, respectively. Their sum, ECS+ICS, is in a very good agreement with themore » measured TCS above 70 eV.« less

Description of an α-cluster tail in 8Be and 20Ne: Delocalization of the α cluster by quantum penetration

NASA Astrophysics Data System (ADS)

Kanada-En'yo, Yoshiko

2014-10-01

We analyze the α-cluster wave functions in cluster states of ^8Be and ^{20}Ne by comparing the exact relative wave function obtained by the generator coordinate method (GCM) with various types of trial functions. For the trial functions, we adopt the fixed range shifted Gaussian of the Brink-Bloch (BB) wave function, the spherical Gaussian with the adjustable range parameter of the spherical Tohsaki-Horiuchi-Schuck-Röpke (sTHSR), the deformed Gaussian of the deformed THSR (dTHSR), and a function with the Yukawa tail (YT). The quality of the description of the exact wave function with a trial function is judged by the squared overlap between the trial function and the GCM wave function. A better result is obtained with the sTHSR wave function than the BB wave function, and further improvement can be made with the dTHSR wave function because these wave functions can describe the outer tail better. The YT wave function gives almost an equal quality to or even better quality than the dTHSR wave function, indicating that the outer tail of α-cluster states is characterized by the Yukawa-like tail rather than the Gaussian tail. In weakly bound α-cluster states with small α separation energy and the low centrifugal and Coulomb barriers, the outer tail part is the slowly damping function described well by the quantum penetration through the effective barrier. This outer tail characterizes the almost zero-energy free α gas behavior, i.e., the delocalization of the cluster.

Comparative study of the LOCV and the FHNC approaches for the nucleonic matter problem

NASA Astrophysics Data System (ADS)

Tafrihi, Azar; Modarres, Majid

2016-03-01

The nucleonic matter problem is investigated by comparing the lowest order constrained variational (LOCV) method with the Fermi hypernetted chain (FHNC) theory, emphasizing the role of the LOCV correlation functions. In this way, the central correlation functions are used in the LOCV formalism, for the Bethe homework problem. It is shown that the LOCV computations reasonably agree with those of FHNC. Moreover, the FHNC calculations are performed with the LOCV correlation functions. It is found that, assuming the LOCV or the parametrized correlation functions, the FHNC computations do not change significantly. So, one may conclude that the mentioned consistencies refer to the choice of the LOCV correlation functions. Because, the contribution of the many-body cluster terms can be ignored, if the LOCV correlation functions satisfy the normalization constraint. Then, using the AV 18 interaction, the operator-dependent (OD) correlation functions are employed in the LOCV calculations. Note that the LOCV OD correlation functions are obtained by averaging over the states. It turns out that the overall behaviour of the LOCV OD correlation functions are similar to those of FHNC. Although, due to the many-body effects which are considered in the FHNC calculations, the LOCV results fairly differ from those of FHNC. Finally, it is worth mentioning that, unlike the recent FHNC calculations, the spin-orbit-dependent correlation functions are included in the LOCV approach.

Fulde-Ferrell-Larkin-Ovchinnikov correlation and free fluids in the one-dimensional attractive Hubbard model

NASA Astrophysics Data System (ADS)

Cheng, Song; Yu, Yi-Cong; Batchelor, M. T.; Guan, Xi-Wen

2018-03-01

In this Rapid Communication, we show that low-energy macroscopic properties of the one-dimensional (1D) attractive Hubbard model exhibit two fluids of bound pairs and of unpaired fermions. Using the thermodynamic Bethe ansatz equations of the model, we first determine the low-temperature phase diagram and analytically calculate the Fulde-Ferrell-Larkin-Ovchinnikov (FFLO) pairing correlation function for the partially polarized phase. We then show that for such an FFLO-like state in the low-density regime the effective chemical potentials of bound pairs and unpaired fermions behave like two free fluids. Consequently, the susceptibility, compressibility, and specific heat obey simple additivity rules, indicating the "free" particle nature of interacting fermions on a 1D lattice. In contrast to the continuum Fermi gases, the correlation critical exponents and thermodynamics of the attractive Hubbard model essentially depend on two lattice interacting parameters. Finally, we study scaling functions, the Wilson ratio and susceptibility, which provide universal macroscopic properties and dimensionless constants of interacting fermions at low energy.

Lanczos algorithm with matrix product states for dynamical correlation functions

NASA Astrophysics Data System (ADS)

Dargel, P. E.; Wöllert, A.; Honecker, A.; McCulloch, I. P.; Schollwöck, U.; Pruschke, T.

2012-05-01

The density-matrix renormalization group (DMRG) algorithm can be adapted to the calculation of dynamical correlation functions in various ways which all represent compromises between computational efficiency and physical accuracy. In this paper we reconsider the oldest approach based on a suitable Lanczos-generated approximate basis and implement it using matrix product states (MPS) for the representation of the basis states. The direct use of matrix product states combined with an ex post reorthogonalization method allows us to avoid several shortcomings of the original approach, namely the multitargeting and the approximate representation of the Hamiltonian inherent in earlier Lanczos-method implementations in the DMRG framework, and to deal with the ghost problem of Lanczos methods, leading to a much better convergence of the spectral weights and poles. We present results for the dynamic spin structure factor of the spin-1/2 antiferromagnetic Heisenberg chain. A comparison to Bethe ansatz results in the thermodynamic limit reveals that the MPS-based Lanczos approach is much more accurate than earlier approaches at minor additional numerical cost.

Integrable dissipative exclusion process: Correlation functions and physical properties

NASA Astrophysics Data System (ADS)

Crampe, N.; Ragoucy, E.; Rittenberg, V.; Vanicat, M.

2016-09-01

We study a one-parameter generalization of the symmetric simple exclusion process on a one-dimensional lattice. In addition to the usual dynamics (where particles can hop with equal rates to the left or to the right with an exclusion constraint), annihilation and creation of pairs can occur. The system is driven out of equilibrium by two reservoirs at the boundaries. In this setting the model is still integrable: it is related to the open XXZ spin chain through a gauge transformation. This allows us to compute the full spectrum of the Markov matrix using Bethe equations. We also show that the stationary state can be expressed in a matrix product form permitting to compute the multipoints correlation functions as well as the mean value of the lattice and the creation-annihilation currents. Finally, the variance of the lattice current is computed for a finite-size system. In the thermodynamic limit, it matches the value obtained from the associated macroscopic fluctuation theory.

78 FR 48672 - Environmental Impacts Statements;

Federal Register 2010, 2011, 2012, 2013, 2014

2013-08-09

... Bend Vegetation Management Project, Review Period Ends: 09/19/2013, Contact: Beth Peer 541-383- 4769... Supplement, USFS, ID, Salmon-Challis National Forest Travel Planning and OHV Designation Project, Comment... Mine Project, Comment Period Ends: 09/23/2013, Contact: Shiva Achet 575-234-5924 EIS No. 20130235...

75 FR 59704 - Office of Management; Performance Review Board Membership

Federal Register 2010, 2011, 2012, 2013, 2014

2010-09-28

... FURTHER INFORMATION CONTACT: Mary Beth Pultz, Director, Executive Resources Team, Human Resources Services... DEPARTMENT OF EDUCATION Office of Management; Performance Review Board Membership AGENCY... Department of Education for 2010 is composed of career and non-career senior executives. The PRB reviews and...

Managing Risk in Mobile Applications with Formal Security Policies

DTIC Science & Technology

2013-04-01

Alternatively, Breaux and Powers (2009) found the Business Process Modeling Notation ( BPMN ), a declarative language for describing business processes, to be...the Business Process Execution Language (BPEL), preferred as the candidate formal semantics for BPMN , only works for limited classes of BPMN models

Investigations of Naturalistic Decision Making and the Recognition-Primed Decision Model

DTIC Science & Technology

1990-07-01

major substantive contributions to the research: Beth W. Crandall, Marvin L. Thordsen, Janet Taynor, and Christopher Brezovic. We wish to thank our...Eyewitness menary enhancement in the police interview: Cognitive retrieval mnemonics versus hypnosis . Journal of Alied Psychology, 70, 2, 401-412

76 FR 50726 - Agency Information Collection Activities; Proposed Collection; Comment Request; EPA Strategic...

Federal Register 2010, 2011, 2012, 2013, 2014

2011-08-16

... Activities; Proposed Collection; Comment Request; EPA Strategic Plan Information on Source Water Protection... submitting comments. E-mail: [email protected] . Mail: Water Docket, Environmental Protection Agency, EPA.../epahome/dockets.htm . FOR FURTHER INFORMATION CONTACT: Beth Hall, Drinking Water Protection Division...

Exact solution of the relativistic quantum Toda chain

NASA Astrophysics Data System (ADS)

Zhang, Xin; Cao, Junpeng; Yang, Wen-Li; Shi, Kangjie; Wang, Yupeng

2017-03-01

The relativistic quantum Toda chain model is studied with the generalized algebraic Bethe Ansatz method. By employing a set of local gauge transformations, proper local vacuum states can be obtained for this model. The exact spectrum and eigenstates of the model are thus constructed simultaneously.

Experimental observation of Bethe strings

NASA Astrophysics Data System (ADS)

Wang, Zhe; Wu, Jianda; Yang, Wang; Bera, Anup Kumar; Kamenskyi, Dmytro; Islam, A. T. M. Nazmul; Xu, Shenglong; Law, Joseph Matthew; Lake, Bella; Wu, Congjun; Loidl, Alois

2018-02-01

Almost a century ago, string states—complex bound states of magnetic excitations—were predicted to exist in one-dimensional quantum magnets. However, despite many theoretical studies, the experimental realization and identification of string states in a condensed-matter system have yet to be achieved. Here we use high-resolution terahertz spectroscopy to resolve string states in the antiferromagnetic Heisenberg-Ising chain SrCo2V2O8 in strong longitudinal magnetic fields. In the field-induced quantum-critical regime, we identify strings and fractional magnetic excitations that are accurately described by the Bethe ansatz. Close to quantum criticality, the string excitations govern the quantum spin dynamics, whereas the fractional excitations, which are dominant at low energies, reflect the antiferromagnetic quantum fluctuations. Today, Bethe’s result is important not only in the field of quantum magnetism but also more broadly, including in the study of cold atoms and in string theory; hence, we anticipate that our work will shed light on the study of complex many-body systems in general.

Relocking of intrinsic angular momenta in collisions of diatoms with ions: Capture of H2(j = 0,1) by H2+

NASA Astrophysics Data System (ADS)

Dashevskaya, E. I.; Litvin, I.; Nikitin, E. E.; Troe, J.

2016-12-01

Rate coefficients for capture of H2(j = 0,1) by H2+ are calculated in perturbed rotor approximation, i.e., at collision energies considerably lower than Bhc (where B denotes the rotational constant of H2). The results are compared with the results from an axially nonadiabatic channel (ANC) approach, the latter providing a very good approximation from the low-temperature Bethe-Wigner to the high temperature Langevin limit. The classical ANC approximation performs satisfactorily at temperatures above 0.1 K. At 0.1 K, the rate coefficient for j =1 is about 25% higher than that for j = 0 while the latter is close to the Langevin rate coefficient. The Bethe-Wigner limit of the rate coefficient for j = 1 is about twice that for j = 0. The analysis of the relocking of the intrinsic angular momentum of H2 during the course of the collision illustrates the significance of relocking in capture dynamics in general.

Solution of the classical Yang-Baxter equation with an exotic symmetry, and integrability of a multi-species boson tunnelling model

NASA Astrophysics Data System (ADS)

Links, Jon

2017-03-01

Solutions of the classical Yang-Baxter equation provide a systematic method to construct integrable quantum systems in an algebraic manner. A Lie algebra can be associated with any solution of the classical Yang-Baxter equation, from which commuting transfer matrices may be constructed. This procedure is reviewed, specifically for solutions without skew-symmetry. A particular solution with an exotic symmetry is identified, which is not obtained as a limiting expansion of the usual Yang-Baxter equation. This solution facilitates the construction of commuting transfer matrices which will be used to establish the integrability of a multi-species boson tunnelling model. The model generalises the well-known two-site Bose-Hubbard model, to which it reduces in the one-species limit. Due to the lack of an apparent reference state, application of the algebraic Bethe Ansatz to solve the model is prohibitive. Instead, the Bethe Ansatz solution is obtained by the use of operator identities and tensor product decompositions.

Thermodynamics of Inozemtsev's elliptic spin chain

NASA Astrophysics Data System (ADS)

Klabbers, Rob

2016-06-01

We study the thermodynamic behaviour of Inozemtsev's long-range elliptic spin chain using the Bethe ansatz equations describing the spectrum of the model in the infinite-length limit. We classify all solutions of these equations in that limit and argue which of these solutions determine the spectrum in the thermodynamic limit. Interestingly, some of the solutions are not selfconjugate, which puts the model in sharp contrast to one of the model's limiting cases, the Heisenberg XXX spin chain. Invoking the string hypothesis we derive the thermodynamic Bethe ansatz equations (TBA-equations) from which we determine the Helmholtz free energy in thermodynamic equilibrium and derive the associated Y-system. We corroborate our results by comparing numerical solutions of the TBA-equations to a direct computation of the free energy for the finite-length hamiltonian. In addition we confirm numerically the interesting conjecture put forward by Finkel and González-López that the original and supersymmetric versions of Inozemtsev's elliptic spin chain are equivalent in the thermodynamic limit.

Singular eigenstates in the even(odd) length Heisenberg spin chain

NASA Astrophysics Data System (ADS)

Ranjan Giri, Pulak; Deguchi, Tetsuo

2015-05-01

We study the implications of the regularization for the singular solutions on the even(odd) length spin-1/2 XXX chains in some specific down-spin sectors. In particular, the analytic expressions of the Bethe eigenstates for three down-spin sector have been obtained along with their numerical forms in some fixed length chains. For an even-length chain if the singular solutions \\{{{λ }α }\\} are invariant under the sign changes of their rapidities \\{{{λ }α }\\}=\\{-{{λ }α }\\}, then the Bethe ansatz equations are reduced to a system of (M-2)/2((M-3)/2) equations in an even (odd) down-spin sector. For an odd N length chain in the three down-spin sector, it has been analytically shown that there exist singular solutions in any finite length of the spin chain of the form N=3(2k+1) with k=1,2,3,\\cdots . It is also shown that there exist no singular solutions in the four down-spin sector for some odd-length spin-1/2 XXX chains.

Bond Dilution Effects on Bethe Lattice the Spin-1 Blume-Capel Model

NASA Astrophysics Data System (ADS)

Albayrak, Erhan

2017-09-01

The bond dilution effects are investigated for the spin-1 Blume-Capel model on the Bethe lattice by using the exact recursion relations. The bilinear interaction parameter is either turned on ferromagnetically with probability p or turned off with probability 1 - p between the nearest-neighbor spins. The thermal variations of the order-parameters are studied in detail to obtain the phase diagrams on the possible planes spanned by the temperature (T), probability (p) and crystal field (D) for the coordination numbers q = 3, 4, and 6. The lines of the second-order phase transitions, Tc-lines, combined with the first-order ones, Tt-lines, at the tricritical points (TCP) are always found for any p and q on the (T, D)-planes. It is also found that the model gives only Tc-lines, Tc-lines combined with the Tt-lines at the TCP’s and only Tt-lines with the consecutively decreasing values of D on the (T, p)-planes for all q.

Simulating star clusters with the AMUSE software framework. I. Dependence of cluster lifetimes on model assumptions and cluster dissolution modes

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

Whitehead, Alfred J.; McMillan, Stephen L. W.; Vesperini, Enrico

2013-12-01

We perform a series of simulations of evolving star clusters using the Astrophysical Multipurpose Software Environment (AMUSE), a new community-based multi-physics simulation package, and compare our results to existing work. These simulations model a star cluster beginning with a King model distribution and a selection of power-law initial mass functions and contain a tidal cutoff. They are evolved using collisional stellar dynamics and include mass loss due to stellar evolution. After studying and understanding that the differences between AMUSE results and results from previous studies are understood, we explored the variation in cluster lifetimes due to the random realization noisemore » introduced by transforming a King model to specific initial conditions. This random realization noise can affect the lifetime of a simulated star cluster by up to 30%. Two modes of star cluster dissolution were identified: a mass evolution curve that contains a runaway cluster dissolution with a sudden loss of mass, and a dissolution mode that does not contain this feature. We refer to these dissolution modes as 'dynamical' and 'relaxation' dominated, respectively. For Salpeter-like initial mass functions, we determined the boundary between these two modes in terms of the dynamical and relaxation timescales.« less

Re-derived overclosure bound for the inert doublet model

NASA Astrophysics Data System (ADS)

Biondini, S.; Laine, M.

2017-08-01

We apply a formalism accounting for thermal effects (such as modified Sommerfeld effect; Salpeter correction; decohering scatterings; dissociation of bound states), to one of the simplest WIMP-like dark matter models, associated with an "inert" Higgs doublet. A broad temperature range T ˜ M/20 . . . M/104 is considered, stressing the importance and less-understood nature of late annihilation stages. Even though only weak interactions play a role, we find that resummed real and virtual corrections increase the tree-level overclosure bound by 1 . . . 18%, depending on quartic couplings and mass splittings.

On the determination of age and mass functions of stars in young open star clusters from the analysis of their luminosity functions

NASA Astrophysics Data System (ADS)

Piskunov, A. E.; Belikov, A. N.; Kharchenko, N. V.; Sagar, R.; Subramaniam, A.

2004-04-01

We construct the observed luminosity functions of the remote young open clusters NGC 2383, 2384, 4103, 4755, 7510 and Hogg 15 from CCD observations of them. The observed LFs are corrected for field star contamination determined with the help of a Galactic star count model. In the case of Hogg 15 and NGC 2383 we also consider the additional contamination from neighbouring clusters NGC 4609 and 2384, respectively. These corrections provide a realistic pattern of cluster LF in the vicinity of the main-sequence (MS) turn-on point and at fainter magnitudes reveal the so-called H-feature arising as a result of the transition of the pre-MS phase to the MS, which is dependent on the cluster age. The theoretical LFs are constructed representing a cluster population model with continuous star formation for a short time-scale and a power-law initial mass function (IMF), and these are fitted to the observed LF. As a result, we are able to determine for each cluster a set of parameters describing the cluster population (the age, duration of star formation, IMF slope and percentage of field star contamination). It is found that in spite of the non-monotonic behaviour of observed LFs, cluster IMFs can be described as power-law functions with slopes similar to Salpeter's value. The present main-sequence turn-on cluster ages are several times lower than those derived from the fitting of theoretical isochrones to the turn-off region of the upper main sequences.

Six Impossible Things: Fractional Charge From Laughlin's Wave Function

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

Shrivastava, Keshav N.

2010-12-23

The Laughlin's wave function is found to be the zero-energy ground state of a {delta}-function Hamiltonian. The finite negative value of the ground state energy which is 91 per cent of Wigner value, can be obtained only when Coulomb correlations are introduced. The Laughlin's wave function is of short range and it overlaps with that of the exact wave functions of small (number of electrons 2 or 5) systems. (i) It is impossible to obtain fractional charge from Laughlin's wave function. (ii) It is impossible to prove that the Laughlin's wave function gives the ground state of the Coulomb Hamiltonian.more » (iii) It is impossible to have particle-hole symmetry in the Laughlin's wave function. (iv) It is impossible to derive the value of m in the Laughlin's wave function. The value of m in {psi}{sub m} can not be proved to be 3 or 5. (v) It is impossible to prove that the Laughlin's state is incompressible because the compressible states are also likely. (vi) It is impossible for the Laughlin's wave function to have spin. This effort is directed to explain the experimental data of quantum Hall effect in GaAs/AlGaAs.« less

Teaching With Historic Places.

ERIC Educational Resources Information Center

Greenberg, Ronald M., Ed.

1993-01-01

Designed for social studies educators, this theme issue presents 11 articles about historic places that feature a variety of ideas for elementary and secondary lesson plans, curricula, and program development. The articles are: (1) "Where did History Happen?" (Beth M. Boland); (2) "Creating a Partnership" (Carol D. Shull); (3)…

Photocopy of photograph (original negative in possession of LSA Associates, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

Photocopy of photograph (original negative in possession of LSA Associates, Irvine, California) Beth Padon, photographer, 1985 WEST (REAR) IN RELATION TO GARAGE, LOOKING NORTH - Irvine Ranch Agricultural Headquarters, Boyd Tenant House, Southeast of Intersection of San Diego & Santa Ana Freeways, Irvine, Orange County, CA

Sixteen Textbook Authors Respond.

ERIC Educational Resources Information Center

Hewitt, John P.; And Others

1988-01-01

The articles on textbook publication written by Sheryl Fullerton and Franklin C. Graham were responded to by: John Hewitt, Henry Tischler, George Ritzer, Paul Baker, Erich Goode, D. Stanley Eitzen, Jon Shepard, Richard Schaefer, Caroline Persell, Beth Hess, Paul Zopf, Jr., Jeanne Ballantine, Duane Monette, Mary Ann Lamanna, John Macionis, and…

Tuning in to Young Viewers: Social Science Perspectives on Television.

ERIC Educational Resources Information Center

MacBeth, Tannis M., Ed.

Research indicates that children are especially vulnerable to the effects of television viewing. Taking a psychological, social-science perspective, this book explores how television viewing affects children. Chapter 1, "Introduction," (MacBeth) discusses the issues involved, how researchers go about studying media effects, whether television…

Mesons in strong magnetic fields: (I) General analyses

DOE PAGES

Hattori, Koichi; Kojo, Toru; Su, Nan

2016-03-21

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

Towards a comprehensive knowledge of the open cluster Haffner 9

NASA Astrophysics Data System (ADS)

Piatti, Andrés E.

2017-03-01

We turn our attention to Haffner 9, a Milky Way open cluster whose previous fundamental parameter estimates are far from being in agreement. In order to provide with accurate estimates, we present high-quality Washington CT1 and Johnson BVI photometry of the cluster field. We put particular care in statistically cleaning the colour-magnitude diagrams (CMDs) from field star contamination, which was found a common source in previous works for the discordant fundamental parameter estimates. The resulting cluster CMD fiducial features were confirmed from a proper motion membership analysis. Haffner 9 is a moderately young object (age ∼350 Myr), placed in the Perseus arm - at a heliocentric distance of ∼3.2 kpc - , with a lower limit for its present mass of ∼160 M⊙ and of nearly metal solar content. The combination of the cluster structural and fundamental parameters suggest that it is in an advanced stage of internal dynamical evolution, possibly in the phase typical of those with mass segregation in their core regions. However, the cluster still keeps its mass function close to that of the Salpeter's law.

Testing modified gravity at large distances with the HI Nearby Galaxy Survey's rotation curves

NASA Astrophysics Data System (ADS)

Mastache, Jorge; Cervantes-Cota, Jorge L.; de la Macorra, Axel

2013-03-01

Recently a new—quantum motivated—theory of gravity has been proposed that modifies the standard Newtonian potential at large distances when spherical symmetry is considered. Accordingly, Newtonian gravity is altered by adding an extra Rindler acceleration term that has to be phenomenologically determined. Here we consider a standard and a power-law generalization of the Rindler modified Newtonian potential. The new terms in the gravitational potential are hypothesized to play the role of dark matter in galaxies. Our galactic model includes the mass of the integrated gas, and stars for which we consider three stellar mass functions (Kroupa, diet-Salpeter, and free mass model). We test this idea by fitting rotation curves of seventeen low surface brightness galaxies from the HI Nearby Galaxy Survey (THINGS). We find that the Rindler parameters do not perform a suitable fit to the rotation curves in comparison to standard dark matter profiles (Navarro-Frenk-White and Burkert) and, in addition, the computed parameters of the Rindler gravity show a high spread, posing the model as a nonacceptable alternative to dark matter.

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

Mor, Rivay; Netzer, Hagai; Trakhtenbrot, Benny

We report new Herschel observations of 25 z {approx_equal} 4.8 extremely luminous optically selected active galactic nuclei (AGNs). Five of the sources have extremely large star-forming (SF) luminosities, L{sub SF}, corresponding to SF rates (SFRs) of 2800-5600 M{sub Sun} yr{sup -1} assuming a Salpeter initial mass function. The remaining sources have only upper limits on their SFRs, but stacking their Herschel images results in a mean SFR of 700 {+-} 150 M{sub Sun} yr{sup -1}. The higher SFRs in our sample are comparable to the highest observed values so far at any redshift. Our sample does not contain obscured AGNs,more » which enables us to investigate several evolutionary scenarios connecting supermassive black holes and SF activity in the early universe. The most probable scenario is that we are witnessing the peak of SF activity in some sources and the beginning of the post-starburst decline in others. We suggest that all 25 sources, which are at their peak AGN activity, are in large mergers. AGN feedback may be responsible for diminishing the SF activity in 20 of them, but is not operating efficiently in 5 others.« less

Probing the stellar initial mass function with high-z supernovae

NASA Astrophysics Data System (ADS)

de Souza, R. S.; Ishida, E. E. O.; Whalen, D. J.; Johnson, J. L.; Ferrara, A.

2014-08-01

The first supernovae (SNe) will soon be visible at the edge of the observable universe, revealing the birthplaces of Population III stars. With upcoming near-infrared missions, a broad analysis of the detectability of high-z SNe is paramount. We combine cosmological and radiation transport simulations, instrument specifications and survey strategies to create synthetic observations of primeval core-collapse (CC), Type IIn and pair-instability (PI) SNe with the James Webb Space Telescope (JWST). We show that a dedicated observational campaign with the JWST can detect up to ˜15 PI explosions, ˜300 CC SNe, but less than one Type IIn explosion per year, depending on the Population III star formation history. Our synthetic survey also shows that ≈1-2 × 102 SNe detections, depending on the accuracy of the classification, are sufficient to discriminate between a Salpeter and flat mass distribution for high-redshift stars with a confidence level greater than 99.5 per cent. We discuss how the purity of the sample affects our results and how supervised learning methods may help to discriminate between CC and PI SNe.

Correlated wave functions for three-particle systems with Coulomb interaction - The muonic helium atom

NASA Technical Reports Server (NTRS)

Huang, K.-N.

1977-01-01

A computational procedure for calculating correlated wave functions is proposed for three-particle systems interacting through Coulomb forces. Calculations are carried out for the muonic helium atom. Variational wave functions which explicitly contain interparticle coordinates are presented for the ground and excited states. General Hylleraas-type trial functions are used as the basis for the correlated wave functions. Excited-state energies of the muonic helium atom computed from 1- and 35-term wave functions are listed for four states.

A NOVEL EFFECT OF DIOXIN: EXPOSURE DURING PREGNANCY SEVERELY IMPAIRS MAMMARY GLAND DIFFERENTIATION

EPA Science Inventory

A novel effect of dioxin: Exposure during pregnancy severely impairs mammary gland differentiation.
Beth A. Vorderstrasse1, Suzanne E. Fenton2, Andrea A. Bohn3, Jennifer A. Cundiff1, and B. Paige Lawrence1,3,4 1Department of Pharmaceutical Sciences, Washington State Universi...

The Law, Digitally Speaking

ERIC Educational Resources Information Center

Chronicle of Higher Education, 2008

2008-01-01

As new technologies emerge on campuses, how can colleges avoid legal land mines? What are the areas of greatest risk, and how should higher-education leaders deal with them? In this article, three experts offered their advice at the Technology Forum: Beth Cate, associate general counsel at Indiana University, on data privacy and security; Steven…

Integral Nursing: An Emerging Framework for Engaging the Evolution of the Profession.

ERIC Educational Resources Information Center

Fiandt, Kathryn; Forman, John; Megel, Mary Erickson; Pakieser, Ruth A.; Burge, Stephanie

2003-01-01

Proposes the Integral Nursing framework, which combines Wilber's All-Quadrant/All-Level model, a heuristic device to organize human experience, and the Spiral Dynamics model of human development organized around value memes or cultural units of information. Includes commentary by Beth L. Rodgers. (Contains 17 references.) (JOW)

Design and Modeling of a Compton-Suppressed Phoswich Detector for Radioxenon Monitoring

DTIC Science & Technology

2010-09-01

radioisotopes. There are three boxed areas (in the absence of any radon daughters ) from which the concentration of four xenon radioisotopes can be...The high-energy gamma-rays could originate from either external or internal (from radon daughters or radioxenon itself in the gas sample) gamma-ray

75 FR 2158 - Palmyra Atoll National Wildlife Refuge, U.S. Pacific Island Territory

Federal Register 2010, 2011, 2012, 2013, 2014

2010-01-14

... migratory birds, coral reefs, and threatened and endangered species in their natural setting. Palmyra Atoll..., (808) 792-9586. U.S. Mail: Beth Flint, Acting Project Leader, Pacific Reefs National Wildlife Refuge..., Pacific Reefs National Wildlife Refuge Complex, phone (808) 792-9553. SUPPLEMENTARY INFORMATION: Refuge...

Social Security: The Notch Issue.

DTIC Science & Technology

1988-03-24

the Exact Match Study, see Beth Kilss, Fritz Scheuren, Fay Aziz, and Linda DelBane, "The 1973 CPS-IRS-SSA Exact Match Study: Past, Present and Future...34 inPolicy Analysis with Social Security Research Files, Proceedings, SSA, 1978. 2For more discussion of the project, see Haber (1985) and, in the

Adult Learning Matters

ERIC Educational Resources Information Center

Adults Learning, 2009

2009-01-01

The Campaigning Alliance for Lifelong Learning is to lobby parliament for the restoration of the 1.5 million adult learning places lost over the past two years. The campaign has attracted supporters from an astonishingly wide range of backgrounds. In this article, Gordon Marsden, Caroline Biggins, Beth Walker, Mike Chaney, Peter Davies, Sian…

The Harmony Specialist

ERIC Educational Resources Information Center

Olson, Catherine Applefeld

2008-01-01

This article profiles Beth Gilbert, a veteran Arizona string teacher who finds inspiration in teamwork--and her students. Growing up in Ohio, Gilbert enjoyed participating in her high school orchestra. Nevertheless she entered the University of Arizona as a marine biology major, choosing a field of study that she had planned to parlay into a…

Secret Destinations

ERIC Educational Resources Information Center

Buss, David

2008-01-01

"All journeys have secret destinations of which the traveller is unaware" (Martin Buber). All learning results in learning outcomes of some form, planned or otherwise, but the term is now widely used to refer only to those learning outcomes that predetermine what those outcomes will be--the "intended" or "specified" learning outcomes of the…

2011 Women in Defense (WID) National Fall Conference

DTIC Science & Technology

2011-10-19

UCLA. She is also a graduate of the UCLA Executive Management Course and the University of Chicago Business Leadership Program. A member of the Air...Supercircuits Ms. Beth A. Shepard -Savery Cox Communications Hampton Roads, LLC Ms. Erin B. Sheppard McKenna Long & Aldridge, LLP Ms. Heidi L Shyu

2. Historic American Buildings Survey Copy by Bert Shankland, Photographer ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

2. Historic American Buildings Survey Copy by Bert Shankland, Photographer August 20, 1974 EAST AND SOUTH ELEVATION AFTER ADDITION OF PORCH, ALTERATION OF WINDOWS Fromthe Collection of the San Diego Historical Society, Serra Museum, San Diego - Temple Beth Israel, 1502 Second Avenue, San Diego, San Diego County, CA

76 FR 9028 - Training Program for Regulatory Project Managers; Information Available to Industry

Federal Register 2010, 2011, 2012, 2013, 2014

2011-02-16

... pharmaceutical companies interested in participating in this program to contact CDER. DATES: Pharmaceutical companies may submit proposed agendas to the Agency by April 18, 2011. FOR FURTHER INFORMATION CONTACT: Beth...-Miller (see DATES and FOR FURTHER INFORMATION CONTACT). Dated: February 9, 2011. Leslie Kux, Acting...

Recruiting Youth in the College Market: Current Practices and Future Policy Options.

ERIC Educational Resources Information Center

Kilburn, M. Rebecca, Ed.; Asch, Beth J., Ed.

This publication explores the enlistment potential of college-market youth by examining the characteristics of the college-market population and the implications of these characteristics for designing effective recruiting policies. Chapter 1, "Introduction: Trends and Theoretical Considerations" (M. Rebecca Kilburn, Beth J. Asch),…

77 FR 5840 - Notice of Inventory Completion: Kingman Museum, Incorporated, Battle Creek, MI; Correction

Federal Register 2010, 2011, 2012, 2013, 2014

2012-02-06

... DEPARTMENT OF THE INTERIOR National Park Service Notice of Inventory Completion: Kingman Museum... contact the Kingman Museum, Incorporated at the address below by March 7, 2012. ADDRESSES: Beth Yahne, Kingman Museum, Inc., 175 Limit Street, Battle Creek, MI 49037, telephone (269) 965-5117. SUPPLEMENTARY...

Platelets Orchestrate Remote Tissue Damage After Mesenteric Ischemia-Reperfusion

DTIC Science & Technology

2012-02-02

Medicine , Beth Israel Deaconess Medical Center, Harvard Medical School, 330 Brookline Ave., CLS-928, Boston, MA 02115 (e-mail: gtsokos@bidmc.harvard.edu). Am...Guikema BJ, Fritzinger DC, Vogel CW, Stahl GL. Humanized cobra venom factor decreases myocardial ischemia-reperfu- sion injury. Mol Immunol 47: 506–510

Properties of resonance wave functions.

NASA Technical Reports Server (NTRS)

More, R. M.; Gerjuoy, E.

1973-01-01

Construction and study of resonance wave functions corresponding to poles of the Green's function for several illustrative models of theoretical interest. Resonance wave functions obtained from the Siegert and Kapur-Peierls definitions of the resonance energies are compared. The comparison especially clarifies the meaning of the normalization constant of the resonance wave functions. It is shown that the wave functions may be considered renormalized in a sense analogous to that of quantum field theory. However, this renormalization is entirely automatic, and the theory has neither ad hoc procedures nor infinite quantities.

A Generalist Looks Back

NASA Astrophysics Data System (ADS)

Salpeter, Edwin E.

I fled with my parents from Hitler's Austria to Australia and studied physics at Sydney University. I obtained my Ph.D. in quantum electrodynamics with Rudolf Peierls at Birmingham University and came to Cornell to work with Hans Bethe. I have stayed at Cornell ever since, and I have essentially had only a single job in my whole life, but have switched fields quite often. I worked in nuclear astrophysics and in late-stellar evolution, estimated the Initial Mass Function for star formation and the metal enrichment of the interstellar medium. I suggested black hole accretion as the energy source for quasars, worked on molecule formation on dust grain surfaces, and was involved in 21-cm studies of gas clouds and disk galaxies. I collaborated with my wife on the neurobiology of the neuromuscular junction and with one of my daughters on the epidemiology of tuberculosis.

Overlaps with arbitrary two-site states in the XXZ spin chain

NASA Astrophysics Data System (ADS)

Pozsgay, B.

2018-05-01

We present a conjectured exact formula for overlaps between the Bethe states of the spin-1/2 XXZ chain and generic two-site states. The result takes the same form as in the previously known cases: it involves the same ratio of two Gaudin-like determinants, and a product of single-particle overlap functions, which can be fixed using a combination of the quench action and quantum transfer matrix methods. Our conjecture is confirmed by numerical data from exact diagonalization. For one-site states, the formula is found to be correct even in chains with odd length. It is also pointed out that the ratio of the Gaudin-like determinants plays a crucial role in the overlap sum rule: it guarantees that in the thermodynamic limit there remains no term in the quench action.

Transfer matrix spectrum for cyclic representations of the 6-vertex reflection algebra by quantum separation of variables

NASA Astrophysics Data System (ADS)

Pezelier, Baptiste

2018-02-01

In this proceeding, we recall the notion of quantum integrable systems on a lattice and then introduce the Sklyanin’s Separation of Variables method. We sum up the main results for the transfer matrix spectral problem for the cyclic representations of the trigonometric 6-vertex reflection algebra associated to the Bazanov-Stroganov Lax operator. These results apply as well to the spectral analysis of the lattice sine-Gordon model with open boundary conditions. The transfer matrix spectrum (both eigenvalues and eigenstates) is completely characterized in terms of the set of solutions to a discrete system of polynomial equations. We state an equivalent characterization as the set of solutions to a Baxter’s like T-Q functional equation, allowing us to rewrite the transfer matrix eigenstates in an algebraic Bethe ansatz form.

Some simple solutions of Schrödinger's equation for a free particle or for an oscillator

NASA Astrophysics Data System (ADS)

Andrews, Mark

2018-05-01

For a non-relativistic free particle, we show that the evolution of some simple initial wave functions made up of linear segments can be expressed in terms of Fresnel integrals. Examples include the square wave function and the triangular wave function. The method is then extended to wave functions made from quadratic elements. The evolution of all these initial wave functions can also be found for the harmonic oscillator by a transformation of the free evolutions.

The Yambo code: a comprehensive tool to perform ab-initio simulations of equilibrium and out-of-equilibrium properties

NASA Astrophysics Data System (ADS)

Marini, Andrea

Density functional theory and many-body perturbation theory methods (such as GW and Bethe-Selpether equation) are standard approaches to the equilibrium ground and excited state properties of condensed matter systems, surfaces, molecules and other several kind of materials. At the same time ultra-fast optical spectroscopy is becoming a widely used and powerful tool for the observation of the out-of-equilibrium dynamical processes. In this case the theoretical tools (such as the Baym-Kadanoff equation) are well known but, only recently, have been merged with the ab-Initio approach. And, for this reason, highly parallel and efficient codes are lacking. Nevertheless, the combination of these two areas of research represents, for the ab-initio community, a challenging prespective as it requires the development of advanced theoretical, methodological and numerical tools. Yambo is a popular community software implementing the above methods using plane-waves and pseudo-potentials. Yambo is available to the community as open-source software, and oriented to high-performance computing. The Yambo project aims at making the simulation of these equilibrium and out-of-equilibrium complex processes available to a wide community of users. Indeed the code is used, in practice, in many countries and well beyond the European borders. Yambo is a member of the suite of codes of the MAX European Center of Excellence (Materials design at the exascale) . It is also used by the user facilities of the European Spectroscopy Facility and of the NFFA European Center (nanoscience foundries & fine analysis). In this talk I will discuss some recent numerical and methodological developments that have been implemented in Yambo towards to exploitation of next generation HPC supercomputers. In particular, I will present the hybrid MPI+OpenMP parallelization and the specific case of the response function calculation. I will also discuss the future plans of the Yambo project and its potential use as tool for science dissemination, also in third world countries. Etsf, MAX European Center of Excellence and NFFA European Center.

Intrinsic Resolution of Molecular Electronic Wave Functions and Energies in Terms of Quasi-atoms and Their Interactions.

PubMed

West, Aaron C; Schmidt, Michael W; Gordon, Mark S; Ruedenberg, Klaus

2017-02-09

A general intrinsic energy resolution has been formulated for strongly correlated wave functions in the full molecular valence space and its subspaces. The information regarding the quasi-atomic organization of the molecular electronic structure is extracted from the molecular wave function without introducing any additional postulated model state wave functions. To this end, the molecular wave function is expressed in terms of quasi-atomic molecular orbitals, which maximize the overlap between subspaces of the molecular orbital space and the free-atom orbital spaces. As a result, the molecular wave function becomes the superposition of a wave function representing the juxtaposed nonbonded quasi-atoms and a wave function describing the interatomic electron migrations that create bonds through electron sharing. The juxtaposed nonbonded quasi-atoms are shown to consist of entangled quasi-atomic states from different atoms. The binding energy is resolved as a sum of contributions that are due to quasi-atom formation, quasiclassical electrostatic interactions, and interatomic interferences caused by electron sharing. The contributions are further resolved according to orbital interactions. The various transformations that generate the analysis are determined by criteria that are independent of the working orbital basis used for calculating the molecular wave function. The theoretical formulation of the resolution is quantitatively validated by an application to the C 2 molecule.

The stellar population and initial mass function of NGC 1399 with MUSE

NASA Astrophysics Data System (ADS)

Vaughan, Sam P.; Davies, Roger L.; Zieleniewski, Simon; Houghton, Ryan C. W.

2018-06-01

We present spatially resolved measurements of the stellar initial mass function (IMF) in NGC 1399, the largest elliptical galaxy in the Fornax Cluster. Using data from the Multi Unit Spectroscopic Explorer (MUSE) and updated state-of-the-art stellar population synthesis models from Conroy et al. (2018), we use full spectral fitting to measure the low-mass IMF, as well as a number of individual elemental abundances, as a function of radius in this object. We find that the IMF in NGC 1399 is heavier than the Milky Way in its centre and remains radially constant at a super-salpeter slope out to 0.7 Re. At radii larger than this, the IMF slope decreases to become marginally consistent with a Milky Way IMF just beyond Re. The inferred central V-band M/L ratio is in excellent agreement with the previously reported dynamical M/L measurement from Houghton et al. (2006). The measured radial form of the M/L ratio may be evidence for a two-phase formation in this object, with the central regions forming differently to the outskirts. We also report measurements of a spatially resolved filament of ionised gas extending 4"(404 pc at DL = 21.1 Mpc) from the centre of NGC 1399, with very narrow equivalent width and low velocity dispersion (65 ± 14 kms-1). The location of the emission, combined with an analysis of the emission line ratios, leads us to conclude that NGC 1399's AGN is the source of ionising radiation.

Angular distribution of Cherenkov radiation from relativistic heavy ions taking into account deceleration in the radiator

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

Bogdanov, O. V., E-mail: bov@tpu.ru; Fiks, E. I.; Pivovarov, Yu. L.

2012-09-15

Numerical methods are used to study the dependence of the structure and the width of the angular distribution of Vavilov-Cherenkov radiation with a fixed wavelength in the vicinity of the Cherenkov cone on the radiator parameters (thickness and refractive index), as well as on the parameters of the relativistic heavy ion beam (charge and initial energy). The deceleration of relativistic heavy ions in the radiator, which decreases the velocity of ions, modifies the condition of structural interference of the waves emitted from various segments of the trajectory; as a result, a complex distribution of Vavilov-Cherenkov radiation appears. The main quantitymore » is the stopping power of a thin layer of the radiator (average loss of the ion energy), which is calculated by the Bethe-Bloch formula and using the SRIM code package. A simple formula is obtained to estimate the angular distribution width of Cherenkov radiation (with a fixed wavelength) from relativistic heavy ions taking into account the deceleration in the radiator. The measurement of this width can provide direct information on the charge of the ion that passes through the radiator, which extends the potentialities of Cherenkov detectors. The isotopic effect (dependence of the angular distribution of Vavilov-Cherenkov radiation on the ion mass) is also considered.« less

Mapping the core mass function to the initial mass function

NASA Astrophysics Data System (ADS)

Guszejnov, Dávid; Hopkins, Philip F.

2015-07-01

It has been shown that fragmentation within self-gravitating, turbulent molecular clouds (`turbulent fragmentation') can naturally explain the observed properties of protostellar cores, including the core mass function (CMF). Here, we extend recently developed analytic models for turbulent fragmentation to follow the time-dependent hierarchical fragmentation of self-gravitating cores, until they reach effectively infinite density (and form stars). We show that turbulent fragmentation robustly predicts two key features of the initial mass function (IMF). First, a high-mass power-law scaling very close to the Salpeter slope, which is a generic consequence of the scale-free nature of turbulence and self-gravity. We predict the IMF slope (-2.3) is slightly steeper than the CMF slope (-2.1), owing to the slower collapse and easier fragmentation of large cores. Secondly, a turnover mass, which is set by a combination of the CMF turnover mass (a couple solar masses, determined by the `sonic scale' of galactic turbulence, and so weakly dependent on galaxy properties), and the equation of state (EOS). A `soft' EOS with polytropic index γ < 1.0 predicts that the IMF slope becomes `shallow' below the sonic scale, but fails to produce the full turnover observed. An EOS, which becomes `stiff' at sufficiently low surface densities Σgas ˜ 5000 M⊙ pc-2, and/or models, where each collapsing core is able to heat and effectively stiffen the EOS of a modest mass (˜0.02 M⊙) of surrounding gas, are able to reproduce the observed turnover. Such features are likely a consequence of more detailed chemistry and radiative feedback.

Photon wave function formalism for analysis of Mach–Zehnder interferometer and sum-frequency generation

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

Ritboon, Atirach, E-mail: atirach.3.14@gmail.com; Department of Physics, Faculty of Science, Prince of Songkla University, Hat Yai 90112; Daengngam, Chalongrat, E-mail: chalongrat.d@psu.ac.th

2016-08-15

Biakynicki-Birula introduced a photon wave function similar to the matter wave function that satisfies the Schrödinger equation. Its second quantization form can be applied to investigate nonlinear optics at nearly full quantum level. In this paper, we applied the photon wave function formalism to analyze both linear optical processes in the well-known Mach–Zehnder interferometer and nonlinear optical processes for sum-frequency generation in dispersive and lossless medium. Results by photon wave function formalism agree with the well-established Maxwell treatments and existing experimental verifications.

Generic short-time propagation of sharp-boundaries wave packets

NASA Astrophysics Data System (ADS)

Granot, E.; Marchewka, A.

2005-11-01

A general solution to the "shutter" problem is presented. The propagation of an arbitrary initially bounded wave function is investigated, and the general solution for any such function is formulated. It is shown that the exact solution can be written as an expression that depends only on the values of the function (and its derivatives) at the boundaries. In particular, it is shown that at short times (t << 2mx2/hbar, where x is the distance to the boundaries) the wave function propagation depends only on the wave function's values (or its derivatives) at the boundaries of the region. Finally, we generalize these findings to a non-singular wave function (i.e., for wave packets with finite-width boundaries) and suggest an experimental verification.

Generation of intermittent gravitocapillary waves via parametric forcing

NASA Astrophysics Data System (ADS)

Castillo, Gustavo; Falcón, Claudio

2018-04-01

We report on the generation of an intermittent wave field driven by a horizontally moving wave maker interacting with Faraday waves. The spectrum of the local gravitocapillary surface wave fluctuations displays a power law in frequency for a wide range of forcing parameters. We compute the probability density function of the local surface height increments, which show that they change strongly across time scales. The structure functions of these increments are shown to display power laws as a function of the time lag, with exponents that are nonlinear functions of the order of the structure function. We argue that the origin of this scale-invariant intermittent spectrum is the Faraday wave pattern breakup due to its advection by the propagating gravity waves. Finally, some interpretations are proposed to explain the appearance of this intermittent spectrum.

A single-sided representation for the homogeneous Green's function of a unified scalar wave equation.

PubMed

Wapenaar, Kees

2017-06-01

A unified scalar wave equation is formulated, which covers three-dimensional (3D) acoustic waves, 2D horizontally-polarised shear waves, 2D transverse-electric EM waves, 2D transverse-magnetic EM waves, 3D quantum-mechanical waves and 2D flexural waves. The homogeneous Green's function of this wave equation is a combination of the causal Green's function and its time-reversal, such that their singularities at the source position cancel each other. A classical representation expresses this homogeneous Green's function as a closed boundary integral. This representation finds applications in holographic imaging, time-reversed wave propagation and Green's function retrieval by cross correlation. The main drawback of the classical representation in those applications is that it requires access to a closed boundary around the medium of interest, whereas in many practical situations the medium can be accessed from one side only. Therefore, a single-sided representation is derived for the homogeneous Green's function of the unified scalar wave equation. Like the classical representation, this single-sided representation fully accounts for multiple scattering. The single-sided representation has the same applications as the classical representation, but unlike the classical representation it is applicable in situations where the medium of interest is accessible from one side only.

Integrable open spin chains from flavored ABJM theory

NASA Astrophysics Data System (ADS)

Bai, Nan; Chen, Hui-Huang; He, Song; Wu, Jun-Bao; Yang, Wen-Li; Zhu, Meng-Qi

2017-08-01

We compute the two-loop anomalous dimension matrix in the scalar sector of planar N=3 flavored ABJM theory. Using coordinate Bethe ansatz, we obtain the reflection matrices and confirm that the boundary Yang-Baxter equations are satisfied. This establishes the integrability of this theory in the scalar sector at the two-loop order.

Effective Teaching of Reading: Research and Practice.

ERIC Educational Resources Information Center

Hoffman, James V., Ed.

Distilling and interpreting past and current research on the effective teaching of reading is the focus of this volume. The titles and authors are as follows: "Research in Effective Teaching: An Overview of Its Development" (William H. Rupley, Beth S. Wise, and John W. Logan); "Process-Product Research on Effective Teaching: A Primer for a…

Very Large Scale Distributed Information Processing Systems

DTIC Science & Technology

1991-09-27

USENIX Conference Proceedings, pp. 31-43. USENIX, February 1988. [KLA90] Michael L. Kazar, Bruce W. Leverett, Owen T. Anderson, Vasilis Apos- tolides, Beth...will be selected if cost is the curlcron Iorsleettin- IfFigure 2 R DistribUted Database lSgtam and its we combin the abolve two pit , n r-itcrr