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We develop a generalized gradient expansion of the inhomogeneous dynamical mean-field theory method for determining properties of ultracold atoms in a trap. This approach goes beyond the well-known local density approximation and at higher…

Quantum Gases · Physics 2016-08-17 J. K. Freericks , Shuyang Han , Karlis Mikelsons , H. R. Krishnamurthy

The unitary coupled cluster (UCC) approximation is one of the more promising wave-function ans\"atze for electronic structure calculations on quantum computers via the variational quantum eigensolver algorithm. However, for large systems…

Quantum Physics · Physics 2021-09-30 Jia Chen , Hai-Ping Cheng , James K. Freericks

In this chapter, we provide a review of ground-state Kohn-Sham density-functional theory of electronic systems and some of its extensions, we present exact expressions and constraints for the exchange and correlation density functionals,…

Chemical Physics · Physics 2022-09-12 Julien Toulouse

We calculate cross sections of high energy electron inclusive scattering off nuclear matter in a new and consistent formulation based on the Green's function method with the Glauber approximation, which is an extension of our previous work…

Nuclear Theory · Physics 2009-11-06 Akihisa Kohama , Koichi Yazaki , Ryoichi Seki

A non-perturbative scheme, based on the functional generalization of the Callan-Symanzik equation is developed to treat the Coulomb interaction in an electron gas. The one-particle irreducible vertex functions are shown to satisfy an…

Strongly Correlated Electrons · Physics 2011-07-19 Sebastiao Correia , Janos Polonyi , Jean Richert

We have developed a new type of self-consistent scheme within the $GW$ approximation, which we call quasiparticle self-consistent $GW$ (QS$GW$). We have shown that QS$GW$ rather well describes energy bands for a wide-range of materials,…

Materials Science · Physics 2007-10-05 Takao Kotani , Mark van Schilfgaarde , Sergey V. Faleev

Expectation Propagation (EP) provides a framework for approximate inference. When the model under consideration is over a latent Gaussian field, with the approximation being Gaussian, we show how these approximations can systematically be…

Machine Learning · Statistics 2013-10-28 Manfred Opper , Ulrich Paquet , Ole Winther

We revise critically existing approaches to evaluation of thermodynamic potentials within the Green's function calculations at finite electronic temperatures. We focus on the entropy and show that usual technical problems related to the…

Materials Science · Physics 2018-02-26 Ilja Turek , Josef Kudrnovsky , Vaclav Drchal

We implement a full nonlinear optimization method to fit continuum states with complex Gaussians. The application to a set of regular scattering Coulomb functions allows us to validate the numerical feasibility, to explore the range of…

Computational Physics · Physics 2020-08-28 Abdallah Ammar , Arnaud Leclerc , Lorenzo Ugo Ancarani

The Coulomb Green's function (GF) for non-relativistic charged particle in field of attractive Coulomb force is extended to describe the interaction of two non-relativistic electrons through repulsive Coulomb forces. Closed-form expressions…

Quantum Physics · Physics 2023-10-26 Tomasz M. Rusin

Theoretical approaches of electronic transport in correlated molecules usually consider an extended molecule, which includes, in addition to the molecule itself, parts of electrodes. In the case where electron correlations remain confined…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Ioan Baldea , Horst Koppel , Robert Maul , Wolfgang Wenzel

We combine the method of exchangeable pairs with Stein's method for functional approximation. As a result, we give a general linearity condition under which an abstract Gaussian approximation theorem for stochastic processes holds. We apply…

Probability · Mathematics 2020-10-22 Mikolaj J. Kasprzak

With the aim of identifying universal trends, we compare fully self-consistent electronic spectra and total energies obtained from the GW approximation with those from an extended GWGamma scheme that includes a nontrivial vertex function…

Materials Science · Physics 2007-05-23 Arno Schindlmayr , Thomas J. Pollehn , R. W. Godby

We implement the numerical method of summing Green function diagrams on the Matsubara frequency axis for the fluctuation exchange (FLEX) approximation. Our method has previously been applied to the attractive Hubbard model for low density.…

Condensed Matter · Physics 2016-08-15 J. J. Rodríguez-Núñez , S. Schafroth

The quantum statistics of damped optical solitons is studied using cumulant-expansion techniques. The effect of absorption is described in terms of ordinary Markovian relaxation theory, by coupling the optical field to a continuum of…

Quantum Physics · Physics 2009-10-31 E. Schmidt , L. Knoell , D. -G. Welsch

We construct a generalized-gradient approximation for the exchange-energy density of finite two-dimensional systems. Guided by non-empirical principles, we include the proper small-gradient limit and the proper tail for the exchange-hole…

Strongly Correlated Electrons · Physics 2014-03-26 J. G. Vilhena , E. Rasanen , M. A. L. Marques , S. Pittalis

Acoustic room modes and the Green's function mode expansion are well-known for rectangular rooms with perfectly reflecting walls. First-order approximations also exist for nearly rigid boundaries; however, current analytical methods fail to…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-11 Matteo Calafà , Yuanxin Xia , Jonas Brunskog , Cheol-Ho Jeong

The paper focuses on an approximation of the first passage time probability density function of a Feller stochastic process by using cumulants and a Laguerre-Gamma polynomial approximation. The feasibility of the method relies on closed…

Probability · Mathematics 2020-06-23 Elvira Di Nardo , Giuseppe D'Onofrio

The quasiclassical Green functions of the Dirac and Klein-Gordon equations in the external electric field are obtained with the first correction taken into account. The relevant potential is assumed to be localized, while its spherical…

High Energy Physics - Phenomenology · Physics 2009-10-31 R. N. Lee , A. I. Milstein , V. M. Strakhovenko

Based on a canonical approach and functional-integration techniques, a series expansion of Green's function of a scalar field, in the presence of a medium, is obtained. A series expansion for Lifshitz-energy, in finite-temperature, in terms…

Quantum Physics · Physics 2015-05-20 Fardin Kheirandish , Shahriar Salimi