Related papers: A full-potential approach to the relativistic sing…
We present a numerically efficient and accurate Multiple Scattering formalism, which is a generalization of the Multiple Scattering method with a truncated basis set [X. -G. Zhang and W. H. Butler, Phys. Rev. B 46,7433 (1992)]. Compared to…
For molecules and solids containing heavy elements, accurate electronic structure calculations require accounting not only for electronic correlations but also for relativistic effects. In molecules, relativity can lead to severe changes in…
Relativistic models developed for the exclusive and inclusive quasielastic (QE) electron scattering have been extended to charged-current (CC) and neutral-current (NC) neutrino-nucleus scattering. Different descriptions of final-state…
The response of an arbitrary scattering problem to quasi-static perturbations in the scattering potential is naturally expressed in terms of a set of local partial densities of states and a set of sensitivities each associated with one…
In this paper, we propose a generic and systematic approach for study of the electronic structure for atoms or molecules. In particular, we address the issue of single particle states, or orbitals, which should be one of the most important…
We present a rigorous derivation of a real space Full-Potential Multiple-Scattering-Theory (FP-MST), valid both for continuum and bound states, that is free from the drawbacks that up to now have impaired its development, in particular the…
The analytical treatment of the Greens function in the convergent close-coupling method [Bray et al. Comp. Phys. Comm. 203 147 (2016)] has been extended to charged targets. Furthermore, we show that this approach allows for calculation of…
A rigorous method of calculating the electromagnetic field, the scattering matrix, and scattering cross-sections of an arbitrary finite three-dimensional optical system described by its permittivity distribution is presented. The method is…
In this work, we study the scattering problem of the general nonlinear finitely many Dirac delta potentials with complex coupling constants (or opacities in the context of optics) using the Green's function method and then find the bound…
We present the complete formalism that describes scattering in graphene at low-energies. We begin by analyzing the real-space free Green's function matrix, and its analytical expansions at low-energy, carefully incorporating the discrete…
In this work, we provide a complete description of the scattering matrix elements and electron energy spectrum in one dimensional PT-symmetric hybrid finite systems, using the characteristic determinant approach. We present an analytical…
We revisit the volume Green's function integral equation for modelling light scattering with discretization strategies as well as numerical integration recipes borrowed from finite element method. The merits of introducing finite element…
During the past three years, Wapenaar, Snieder, Broggini and others have developed an algorithm to compute the Green's function for any point inside a medium to points on the surface from measurements on that surface only. Their algorithm…
We have developed an approach to calculate the single-particle Green function of a one-dimensional many-body system in the strongly localized limit at zero temperature. Our approach, based on the locator expansion, sums the contributions of…
We consider a model for 2D electrons in a very strong magnetic field (i.e. projected onto a single Landau level) and a random potential $V$. The computation of the averaged Green function for this system reduces to calculating the averaged…
In this paper I discuss a formulation of relativistic few-particle scattering theory where the dynamical input is a collection of reflection-positive Euclidean covariant Green functions. This formulation of relativistic quantum mechanics…
Single-particle resonances in the continuum are crucial for studies of exotic nuclei. In this study, the Green's function approach is employed to search for single-particle resonances based on the relativistic-mean-field model. Taking…
A quantum-mechanical calculation of the single-particle level (s.p.l.) density $g(\epsilon)$ is carried on by using the connection with the single-particle Green's function. The relation between the imaginary part of Green's function and…
In view of immense interest to understand impact of an electron on atoms in the low-energy scattering phenomena observed in laboratories and astrophysical processes, we prescribe here an approach to construct potentials using relativistic…
We demonstrate in the present study that self-consistent calculations based on the self-energy functional theory (SFT) are possible for the electronic structure of realistic systems in the context of quantum chemistry. We describe the…