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A new perturbational approach to spectral and thermal properties of strongly correlated electron systems is presented: The Anderson model is reexamined for $U\to\infty$\,, and it is shown that an expansion of Green's functions with respect…

Condensed Matter · Physics 2009-10-22 Jan Brinckmann

Long-range correlations, which are partially responsible for the observed fragmentation and depletion of low-lying single-particle strength, are studied in the Green's function formalism. The self-energy is expanded up to second order in…

Nuclear Theory · Physics 2009-10-30 Y. Dewulf , D. Van Neck , L. Van Daele , M. Waroquier

Most nonrelativistic electron correlation methods can be adapted to account for relativistic effects, as long as the relativistic molecular spinor integrals are available, from either a four-, two-, or one-component mean-field calculation.…

Strongly Correlated Electrons · Physics 2024-07-17 Zijun Zhao , Francesco A. Evangelista

Over the years, Hedin's $GW$ self-energy has been proven to be a rather accurate and simple approximation to evaluate electronic quasiparticle energies in solids and in molecules. Attempts to improve over the simple $GW$ approximation, the…

Computational Physics · Physics 2024-01-24 Fabien Bruneval , Arno Förster

Strong correlation can be essentially captured with multireference wavefunction methods such as complete active space self-consistent field (CASSCF) or density matrix renormalization group (DMRG). Still, an accurate description of the…

Strongly Correlated Electrons · Physics 2022-04-06 Daria Drwal , Pavel Beran , Michał Hapka , Marcin Modrzejewski , Adam Sokół , Libor Veis , Katarzyna Pernal

The strong mixing of close levels with two valence electrons in Be-like xenon greatly complicates ab initio QED calculations beyond the first-order approximation. Due to a strong interplay between the electron-electron correlation and QED…

Coherent electronic transport through a molecular device is studied using non-equilibrium Green's function (NEGF) formalism. Such device is made of a short linear wire which is connected to para- and ferromagnetic electrodes. Molecule…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 Kamil Walczak

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 present a many-body $GW$ formalism for quantum subsystems embedded in discrete polarizable environments containing up to several hundred thousand atoms described at a fully ab initio random phase approximation level. Our approach is…

Chemical Physics · Physics 2024-01-26 David Amblard , Xavier Blase , Ivan Duchemin

The experimental valence band photoemission spectrum of semiconductors exhibits multiple satellites that cannot be described by the GW approximation for the self-energy in the framework of many-body perturbation theory. Taking silicon as a…

Facilitated by a rigorous partitioning of a molecular system's orbital basis into two fundamental subspaces - a reference and an expansion space, both with orbitals of unspecified occupancy - we generalize our recently introduced many-body…

Chemical Physics · Physics 2019-12-12 Janus J. Eriksen , Jürgen Gauss

The \emph{GW} approximation takes into account electrostatic self-interaction contained in the Hartree potential through the exchange potential. However, it has been known for a long time that the approximation contains self-screening error…

Strongly Correlated Electrons · Physics 2015-06-03 F. Aryasetiawan , R. Sakuma , K. Karlsson

High-$T_c$ superconductors are usually described as strongly correlated electronic systems. This feature deeply affects the one-particle and two-particle properties of the system. In particular, a large incoherent background developes on…

Superconductivity · Physics 2009-10-31 L. Boeri , E. Cappelluti , C. Grimaldi , L. Pietronero

In this paper we continue the development of a model for strong interactions at high energy, based on two ingredients: CGC/saturation approach and the BFKL Pomeron. In our approach, the unknown mechanism of confinement of quarks and gluons,…

High Energy Physics - Phenomenology · Physics 2015-05-20 E. Gotsman , E. Levin , U. Maor

The efficiency of the variational perturbation theory [Phys. Rev. C {\bf 62}, 045503 (2000)] formulated recently for many-particle systems is examined by calculating the ground state correlation energy of the 3D electron gas with the…

Strongly Correlated Electrons · Physics 2009-11-07 Sang Koo You , Noboru Fukushima

Correlated quantum many-particle systems out of equilibrium are of high interest in many fields, including correlated solids, ultracold atoms or dense plasmas. Accurate theoretical description of these systems is challenging both,…

Strongly Correlated Electrons · Physics 2026-04-02 Erik Schroedter , Michael Bonitz

Correlated classical and quantum many-particle systems out of equilibrium are of high interest in many fields, including dense plasmas, correlated solids, and ultracold atoms. Accurate theoretical description of these systems is challenging…

Statistical Mechanics · Physics 2026-04-02 Erik Schroedter , Michael Bonitz

Theoretical descriptions of non equilibrium dynamics of quantum many-body systems essentially employ either (i) explicit treatments, relying on truncation of the expansion of the many-body wave function, (ii) compressed representations of…

In recent years, Green's function methods have garnered considerable interest due to their ability to target both charged and neutral excitations. Among them, the well-established $GW$ approximation provides accurate ionization potentials…

Chemical Physics · Physics 2023-08-31 Enzo Monino , Pierre-François Loos

We analyze behavior of correlated electrons described by Hubbard-like models at intermediate and strong coupling. We show that with increasing interaction a pole in a generic two-particle Green function is approached. The pole signals…

Strongly Correlated Electrons · Physics 2009-10-30 V. Janis