Related papers: Relativistic full-potential multiple scattering th…
The ever increasing availability of supercomputing resources led computer-based materials science into a new era of high-throughput calculations. Recently, Pizzi et al. [Comp. Mat. Sci. 111, 218 (2016)] introduced the AiiDA framework that…
A computational method is proposed to calculate bound and resonant states by solving the Klein-Gordon and Dirac equations for real and complex energies, respectively. The method is an extension of a non-relativistic one, where the potential…
We investigate the influence of a time dependent, homogeneous electric field on scattering properties of non-interacting electrons in an arbitrary static potential. We develop a method to calculate the (Keldysh) Green's function in two…
It is shown that the Brillouin zone integral for the interstitial KKR-Green function can be evaluated accurately by taking proper care of the free-electron singularities in the integrand. The proposed method combines two recently developed…
In this work, we present a new result which concerns the derivation of the Green function relative to the time-independent Schrodinger equation in two dimensional space. The system considered in this work is a quantum particle that have an…
Relativistic formalism of Green's functions is dicussed in QCD and QED,where the relativistic Green's functions are constructed using the Schwinger proper time formalism and the Fock-Feynman-Schwinger method.As a result a simple and exact…
Using a recently developed approach for solving the three dimensional Dirac equation with spherical symmetry, we obtain the two-point Green's function of the relativistic Dirac-Morse problem. This is accomplished by setting up the…
Accurate numerical results are derived for transport properties of Kondo impurity systems with potential scattering and orbital degeneracy. Using the continuous-time quantum Monte Carlo (CT-QMC) method, static and dynamic physical…
An analytical Green's function is developed to study the acoustic scattering by a flat plate with a serrated edge. The scattered pressure is solved using the Wiener-Hopf technique in conjunction with the adjoint technique. It is shown that…
We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing…
We derive ab initio optical potentials from self-consistent Green's function (SCGF) theory and compute the elastic scattering of neutrons off oxygen and calcium isotopes. The comparison with scattering data is satisfactory at low scattering…
Using the Green's function formalism, an ab initio theory for band structures of crystals is derived starting from the Hartree-Fock approximation. It is based on the algebraic diagrammatic construction scheme for the self-energy which is…
We present results from a new ab-initio method that uses the self-consistent Gorkov Green's function theory to address truly open-shell systems. The formalism has been recently worked out up to second order and is implemented here in nuclei…
The irregular solutions of the stationary Schr\"odinger equation are important for the fundamental formal development of scattering theory. They are also necessary for the analytical properties of the Green function, which in practice can…
A first principles approach, based on the real space multiple scattering Green's function method, is presented for spin- and angle-resolved resonant photoemission from magnetic surfaces. It is applied to the Fe(010) valence band…
Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…
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…
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…
We consider a massive relativistic particle in the background of a gravitational plane wave. The corresponding Green functions for both spinless and spin 1/2 cases, previously computed by A. Barducci and R. Giachetti \cite{Barducci3}, are…
The relativistic mean field theory with the Green's function method is taken to study the single-particle resonant states. Different from our previous work [Phys.Rev.C 90,054321(2014)], the resonant states are identified by searching for…