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The complex nature of electron-electron correlations is made manifest in the very simple but non-trivial problem of two electrons confined within a sphere. The description of highly non-local correlation and self-interaction effects by…

Other Condensed Matter · Physics 2016-08-16 J. Jung , P. García-González , J. E. Alvarellos , R. W. Godby

In this work we present a numerical method to solve the set of Dyson-like equations arising the context of non-equilibrium Green's functions. The technique is based on the self-consistent solution of the Dyson equations for the interacting…

Strongly Correlated Electrons · Physics 2019-09-04 N. W. Talarico , S. Maniscalco , N. Lo Gullo

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…

Mesoscale and Nanoscale Physics · Physics 2017-05-05 A. N. Somoza , M. Ortuño , V. Gasparian , M. Pino

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…

Chemical Physics · Physics 2007-05-23 Liqiang Wei

Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…

Strongly Correlated Electrons · Physics 2012-01-31 Giovanna Lani , Pina Romaniello , Lucia Reining

The quantum behavior of charge carriers in semiconductor structures is often described in terms of the effective mass Schr\"{o}dinger equation, neglecting the rapid fluctuations of the wave function on the scale of the atomic lattice. For…

Computational Physics · Physics 2019-09-17 Andrea Cagliero , Lyes Rahmouni

The most widely-used density functionals for the exchange-correlation energy are inexact for one-electron systems. Their self-interaction errors can be severe in some applications. The problem is not only to correct the self-interaction…

Chemical Physics · Physics 2009-11-10 Stephan Kümmel , John P. Perdew

Within the finite-temperature Greens-function formalism we study the equation of state of a hot interacting pion gas at zero chemical potential. Employing realistic $\pi\pi$ meson-exchange interactions we selfconsistently calculate the…

Nuclear Theory · Physics 2008-11-26 R. Rapp , J. Wambach

We find the numerically exact partition potential for 1-D systems of interacting electrons designed to model diatomic molecules. At integer fragment occupations, the kinetic contribution to the partition potential develops sharp features in…

Chemical Physics · Physics 2018-11-14 Yan Oueis , Adam Wasserman

The energy levels of two interacting electrons in a 2D quantum dot confined by a finite Gaussian potential and subjected to a uniform magnetic field perpendicular to the plane of the dot are studied. Analytic results are obtained for the…

Mesoscale and Nanoscale Physics · Physics 2021-06-25 S. Chaudhuri

We outline a rigorous method which can be used to solve the many-body Schroedinger equation for a Coulomb interacting electronic system in an external classical magnetic field as well as a quantized electromagnetic field. Effects of the…

Mesoscale and Nanoscale Physics · Physics 2012-10-11 Olafur Jonasson , Chi-Shung Tang , Hsi-Sheng Goan , Andrei Manolescu , Vidar Gudmundsson

The gas of the interacted electrons is usually described within Kohn-Sham approximation by the set of Poisson and Schr\"{o}dinger equations with an effective potential for the single-particle wave functions. The solution of these equations…

Materials Science · Physics 2007-05-23 A. Ya. Shul'man , D. V. Posvyanskii

The exact interaction energy of a many-electron system is determined by the electron pair density, which is not well-approximated in standard Kohn-Sham density functional models. Here we study the (complicated but well-defined) exact…

Chemical Physics · Physics 2015-08-07 Huajie Chen , Gero Friesecke

Kohn-Sham spin-density functional theory provides an efficient and accurate model to study electron-electron interaction effects in quantum dots, but its application to large systems is a challenge. An efficient algorithm for the…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Harold U. Baranger , Weitao Yang

By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF) calculations, we have obtained near-exact correlation energies for low-density same-spin electrons on a three-dimensional sphere (3-sphere), i.e.~the…

Chemical Physics · Physics 2015-08-27 Davids Agboola , Anneke L. Knol , Peter M. W. Gill , Pierre-François Loos

We use Kohn-Sham spin-density-functional theory to study the statistics of ground-state spin and the spacing between conductance peaks in the Coulomb blockade regime for both 2D isolated and realistic quantum dots. We make a systematic…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Hong Jiang , Denis Ullmo , Weitao Yang , Harold U. Baranger

Ground-state Kohn-Sham density functional theory provides, in principle, the exact ground-state energy and electronic spin-densities of real interacting electrons in a static external potential. In practice, the exact density functional for…

Chemical Physics · Physics 2022-07-11 Aaron D. Kaplan , Mel Levy , John P. Perdew

We extend the self-consistent Green's functions formalism to take into account three-body interactions. We analyze the perturbative expansion in terms of Feynman diagrams and define effective one- and two-body interactions, which allows for…

Nuclear Theory · Physics 2013-12-03 Arianna Carbone , Andrea Cipollone , Carlo Barbieri , Arnau Rios , Artur Polls

The total energy and electron addition and removal spectra can in principle be obtained exactly from the one-body Green's function. In practice, the Green's function is obtained from an approximate self-energy. In the framework of many-body…

Strongly Correlated Electrons · Physics 2023-12-08 Abdallah El-Sahili , Francesco Sottile , Lucia Reining

The density functional approach in the Kohn-Sham approximation is widely used to study properties of many-electron systems. Due to the nonlinearity of the Kohn-Sham equations, the general self-consistence searching method involves…

Materials Science · Physics 2015-05-13 D. V. Posvyanskii , A. Ya. Shul'man
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