Related papers: A full-potential approach to the relativistic sing…
We present a new approach to real-space multiple-scattering theory for molecules and clusters, based on the two-potential (distorted-wave) Lippmann-Schwinger equation formalism. Our approach uses a recently developed form [D. L. Foulis,…
We develop a Green's function approach to quasiparticle excitations of open-shell systems within the GW approximation. It is shown that accurate calculations of the characteristic multiplet structure require a precise knowledge of the self…
We study the single particle scattering process in a coherent multi-site system consisting of a tight-binding ring threaded by an Aharonov-Bohm flux and several attaching leads. The asymmetric behavior of scattering matrix is discovered…
Models developed for the exclusive and inclusive quasielastic (QE) electron-nucleus scattering have been extended to QE neutrino-nucleus scattering. Different descriptions of final-state interactions (FSI) are compared. For the inclusive…
A method to derive the charge current density and its quantum mechanical correlation from the scattering matrix is discussed for quantum scattering systems described by a time-dependent Hamiltonian operator. The current density and charge…
From perturbation theory, Green's functions are known for providing a simple and convenient access to the (complete) spectrum of atoms and ions. Having these functions available, they may help carry out perturbation expansions to any order…
We present a rigorous framework that combines single-particle Green's function theory with density functional theory based on a separation of electron-electron interactions into short-range and long-range components. Short-range…
One of the fundamental results in the theory of localization for discrete Schr\"odinger operators with random potentials is the exponential decay of Green's function and the absence of continuous spectrum. In this paper we provide a new…
The real part of the self-energy of interacting two-dimensional electrons has been calculated in the t-matrix approximation. It is shown that the forward scattering results in an anomalous term leading to the vanishing renormalization…
Two methodologies have been presented in the literature which connect relativistic three-particle scattering amplitudes with lattice QCD spectra -- the ``relativistic effective field theory'' approach and the ``finite-volume unitarity''…
A new theoretical framework for the nonequilibrium Green's function (NEGF) scheme is presented to account for the discrete nature of impurities doped in semiconductor nanostructures. The short-range part of impurity potential is included as…
A linear algebraic method named the shifted conjugate-orthogonal-conjugate-gradient method is introduced for large-scale electronic structure calculation. The method gives an iterative solver algorithm of the Green's function and the…
We calculate the inelastic scattering probabilities in the wide band limit of a local polaron model with quadratic coupling to bosons. The central object is a two-particle Green function which is calculated exactly using a purely algebraic…
We propose an improved quantum algorithm to calculate the Green's function through real-time propagation, and use it to compute the retarded Green's function for the 2-, 3- and 4-site Hubbard models. This novel protocol significantly…
Cluster Perturbation Theory (CPT) is a computationally economic method commonly used to estimate the momentum and energy resolved single-particle Green's function. It has been used extensively in direct comparisons with experiments that…
A new method for calculation of band structure has been proposed based on the Green's function theory and local sampling. Potential energy in the Hamiltonian of Schrodinger's equation is approximated with a series of sampled Dirac delta…
Average atom models are widely used to make equation of state tables and for calculating other properties of materials over a wide range of conditions, from zero temperature isolated atom to fully ionized free electron gases. The numerical…
Relativistic models developed within the framework of the impulse approximation for quasielastic (QE) electron scattering and successfully tested in comparison with electron-scattering data have been extended to neutrino-nucleus scattering.…
The recent experimental observations of designer Dirac Fermions and topological phases in molecular graphene are addressed theoretically. Using scattering theory we calculate the electronic structure of finite lattices of scattering centers…
We introduce an energy functional for ground-state electronic structure calculations. Its variables are the natural spin-orbitals of singlet many-body wave functions and their joint occupation probabilities deriving from controlled…