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For a reliable fully-relativistic Korringa-Kohn-Rostoker Green function method, an accurate solution of the underlying single-site scattering problem is necessary. We present an extensive discussion on numerical solutions of the related…

The Green function plays an essential role in the Kohn-Korringa-Rostocker (KKR) multiple scattering method. In practice, it is constructed from the regular and irregular solutions of the local Kohn-Sham equation and robust methods exist for…

Materials Science · Physics 2017-04-13 Xianglin Liu , Yang Wang , Markus Eisenbach , G. Malcolm Stocks

Relativistic mean field theory is formulated with the Green's function method in coordinate space to investigate the single-particle bound states and resonant states on the same footing. Taking the density of states for free particle as a…

Nuclear Theory · Physics 2015-06-23 T. T. Sun , S. Q. Zhang , Y. Zhang , J. N. Hu , J. Meng

The formal basis for fully relativistic Korringa-Kohn-Rostoker (KKR) or multiple scattering calculations for the electronic Green function in case of a general potential is discussed. Simple criteria are given to identify situations that…

Other Condensed Matter · Physics 2016-03-23 H. Ebert , J. Braun , D. Koedderitzsch , S. Mankovsky

A relativistic Green function approach to the inclusive quasielastic (e,e') scattering is presented. The single particle Green function is expanded in terms of the eigenfunctions of the nonhermitian optical potential. This allows one to…

Nuclear Theory · Physics 2009-11-10 Andrea Meucci , Franco Capuzzi , Carlotta Giusti , Franco Davide Pacati

We study the one-point and two-point Green's functions in a complex random matrix model to sub-leading orders in the large N limit. We take this complex matrix models as a model for the two-state scattering problem, as applied to spin…

Condensed Matter · Physics 2009-10-28 S. Hikami , A. Zee

Korringa-Kohn-Rostoker (KKR) Green's function, multiple-scattering theory is an efficient site-centered, electronic-structure technique for addressing an assembly of $N$ scatterers. Wave-functions are expanded in a spherical-wave basis on…

Materials Science · Physics 2015-06-22 Aftab Alam , Suffian N. Khan , Andrei Smirnov , D. M. Nicholson , Duane D. Johnson

A relativistic Green's function approach to parity-violating quasielastic electron scattering is presented. The components of the hadron tensor are expressed in terms of the single particle Green's function, which is expanded in terms of…

Nuclear Theory · Physics 2009-11-11 Andrea Meucci , Carlotta Giusti , Franco Davide Pacati

By introducing multipe-site correlation functions, we propose a hierarchical Green function approach, and apply it to study the characteristic properties of a 2D square lattice Hubbard model by solving the equation of motions of a…

Strongly Correlated Electrons · Physics 2018-09-26 Yu-Liang Liu

A relativistic Green's function approach to inclusive quasielastic charged-current neutrino-nucleus scattering is developed. The components of the hadron tensor are written in terms of the single-particle Green's function, which is expanded…

Nuclear Theory · Physics 2009-11-10 Andrea Meucci , Carlotta Giusti , Franco Davide Pacati

Strongly correlated electron systems are challenging to calculate, and entanglement in such systems is not widely analyzed. We present an approach that can be used as a post-processing step for calculating the two-site reduced density…

Strongly Correlated Electrons · Physics 2024-05-29 Gergő Roósz , Anna Kauch , Frederic Bippus , Daniel Wieser , Karsten Held

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…

Nuclear Theory · Physics 2020-08-26 Cheng Chen , Zhi Pan Li , Yu Xiao Li , Ting-Ting Sun

The multiple scattering theory (MST) is a Green's function method that has been widely used in electronic structure calculations for crystalline disordered systems. The key property of the MST method is the scattering path matrix (SPM) that…

Computational Physics · Physics 2024-12-16 Xiaoxu Li , Huajie Chen

We present a charge and self-energy self-consistent computational scheme for correlated systems based on the Korringa-Kohn-Rostoker (KKR) multiple scattering theory with the many-body effects described by the means of dynamical mean field…

Strongly Correlated Electrons · Physics 2014-04-15 J. Minar , L. Chioncel , A. Perlov , H. Ebert , M. I. Katsnelson , A. I. Lichtenstein

Recently, general point interactions in one dimension has been used to model a large number of different phenomena in quantum mechanics. Such potentials, however, requires some sort of regularization to lead to meaningful results. The usual…

Quantum Physics · Physics 2009-11-07 Alexandre G. M. Schmidt , Bin Kang Cheng , Marcos G. E. da Luz

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…

Nuclear Theory · Physics 2009-12-07 C. Giusti , A. Meucci , F. D. Pacati , J. A. Caballero , J. M. Udias

An analysis of inclusive quasielastic electron scattering is presented using different descriptions of the final state interactions within the framework of the relativistic impulse approximation. The relativistic Green's function approach…

Nuclear Theory · Physics 2009-09-01 Andrea Meucci , J. A. Caballero , C. Giusti , F. D. Pacati , J. M. Udias

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…

Disordered Systems and Neural Networks · Physics 2009-10-30 Tobias Brandes

We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…

Strongly Correlated Electrons · Physics 2009-11-10 S. Y. Savrasov , G. Kotliar

We present an efficient implementation of a surface Green's-function method for atomistic modeling of surfaces within the framework of density functional theory using a pseudopotential localized basis set approach. In this method, the…

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