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200 papers

Strongly correlated systems have long been a central and highly non-trivial topic in condensed matter physics. At the non-interacting level, strong correlation can be associated with powerful (near) degeneracies between occupied and…

Strongly Correlated Electrons · Physics 2026-04-29 Daniel D. Rivera , Gustavo M. Dalpian , John P. Perdew

For properties of interacting electron systems, Kohn-Sham (KS) theory is often favored over many-body perturbation theory (MBPT) owing to its low computational cost. However, the exact KS potential can be challenging to approximate, for…

Materials Science · Physics 2021-01-15 Jack Wetherell , Matthew Hodgson , Leopold Talirz , Rex Godby

We formulate the Kohn-Sham density functional theory (KS-DFT) as a statistical theory in which the electron density is deter-mined from an average of correlated stochastic densities in a trace formula. The key idea is that it is sufficient…

Materials Science · Physics 2015-06-15 Roi Baer , Daniel Neuhauser , Eran Rabani

We numerically study imbalanced two component Fermi gases with attractive interactions in highly elongated harmonic traps. An accurate parametrization formula for the ground state energy is presented for a spin-polarized attractive…

Strongly Correlated Electrons · Physics 2008-03-20 Gao Xianlong , Reza Asgari

Since the seminal works of Thomas and Fermi, researchers in the Density-Functional Theory (DFT) community are searching for accurate electron density functionals. Arguably, the toughest functional to approximate is the noninteracting…

Materials Science · Physics 2018-05-23 Wenhui Mi , Alessandro Genova , Michele Pavanello

The Schr\"odinger-Pauli theory of electrons in the presence of a static electromagnetic field can be described from the perspective of the individual electron via its equation of motion or `Quantal Newtonian' first law. The law is in terms…

Quantum Physics · Physics 2019-09-24 Marlina Slamet , Viraht Sahni

The constrained electron density method of embedding a Kohn-Sham system in a substrate system (first described by P. Cortona, Phys. Rev. B {\bf 44}, 8454 (1991) and T.A. Wesolowski and A. Warshel, J. Phys. Chem {\bf 97}, 8050 (1993)) is…

Materials Science · Physics 2015-05-14 J. R. Trail , D. M. Bird

The electron density, its gradient, and the Kohn-Sham orbital kinetic energy density are the local ingredients of a meta-generalized gradient approximation (meta-GGA). We construct a meta-GGA density functional for the exchange-correlation…

Materials Science · Physics 2009-02-20 Jianmin Tao , John P. Perdew , Viktor N. Staroverov , Gustavo E. Scuseria

We consider a spinless, non-relativistic particle bound by an external potential and linearly coupled to a quantized radiation field. The energy $\mathcal{E}(u,f)$ of product states of the form $u\otimes \Psi_f$, where $u$ is a normalized…

Analysis of PDEs · Mathematics 2022-10-10 Sébastien Breteaux , Jérémy Faupin , Jimmy Payet

We review the progress that has been recently made in the application of time-dependent density functional theory to thermoelectric phenomena. As the field is very young, we emphasize open problems and fundamental issues. We begin by…

Mesoscale and Nanoscale Physics · Physics 2017-04-26 F. G. Eich , M. Di Ventra , G. Vignale

In this paper, we study a few theoretical issues in the discretized Kohn-Sham (KS) density functional theory (DFT). The equivalence between either a local or global minimizer of the KS total energy minimization problem and the solution to…

Computational Physics · Physics 2014-02-21 Xin Liu , Zaiwen Wen , Xiao Wang , Michael Ulbrich , Yaxiang Yuan

A recently developed formalism in which Kohn-Sham calculations are combined with an ``average pair density functional theory'' is reviewed, and some new properties of the effective electron-electron interaction entering in this formalism…

Materials Science · Physics 2009-11-11 Paola Gori-Giorgi , Andreas Savin

An extended electron model fully recovers many of the experimental results of quantum mechanics while it avoids many of the pitfalls and remains generally free of paradoxes. The formulation of the many-body electronic problem here resembles…

Computational Physics · Physics 2018-12-03 Thomas Pope , Werner Hofer

Paralleling a previous paper, we examine single- and many-body states of relativistic electrons in an intense, rotating magnetic dipole field. Single-body orbitals are derived semiclassically and then applied to the many-body case via the…

Astrophysics · Physics 2009-10-30 James M. Gelb , Kaundinya S. Gopinath , Dallas C. Kennedy

Based on exact limits and quantum Monte Carlo simulations, we obtain, at any density and spin polarization, an accurate estimate for the energy of a modified homogeneous electron gas where electrons repel each other only with a long-range…

Materials Science · Physics 2009-11-11 Simone Paziani , Saverio Moroni , Paola Gori-Giorgi , Giovanni B. Bachelet

A model is developed, based on the density functional perturbation theory and the inverse Kohn-Sham method, that can be used to improve relativistic nuclear energy density functionals towards an exact but unknown Kohn-Sham…

Nuclear Theory · Physics 2021-04-28 Giacomo Accorto , Tomoya Naito , Haozhao Liang , Tamara Niksic , Dario Vretenar

Modifications of spin-splitting dispersion relations and density of states for electrons in non-symmetric heterostructures under in-plane magnetic field are studied within the envelope function formalism. Spin-orbit interactions, caused by…

Materials Science · Physics 2009-11-11 A. Hernandez-Cabrera , P. Aceituno , F. T. Vasko

Density functional theory provides the most widespread framework for the realistic description of the electronic structure of solids, but the description of strongly-correlated systems has remained so far elusive. Here we consider a…

Strongly Correlated Electrons · Physics 2016-09-07 Zu-Jian Ying , Valentina Brosco , Giorgia Maria Lopez , Daniele Varsano , Paola Gori-Giorgi , José Lorenzana

The Hohenberg-Kohn theorem of density-functional theory (DFT) is broadly considered the conceptual basis for a full characterization of an electronic system in its ground state by just the one-body particle density. Part I of this review…

Effective Lagrangian of itinerant electron system of finite density at finite magnetic field is found to include Chern-Simons term of electromagnetic potentials of lower scale dimension than those studied before. This term has an origin in…

Strongly Correlated Electrons · Physics 2024-09-04 Kenzo Ishikawa