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We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The new functional is considerably simpler than its predecessors…

Chemical Physics · Physics 2010-12-27 Oleg A. Vydrov , Troy Van Voorhis

Electron-electron correlation forms the basis of difficulties encountered in many-body problems. Accurate treatment of the correlation problem is likely to unravel some nice physical properties of matter embedded in this correlation. In an…

Quantum Physics · Physics 2022-03-24 Eric Ouma Jobunga

Interpolating the exchange-correlation energy along the density-fixed adiabatic connection of density functional theory is a promising way to build approximations that are not biased towards the weakly correlated regime. These…

Strongly Correlated Electrons · Physics 2020-12-10 Derk P. Kooi , Paola Gori-Giorgi

We study consequences of gauge invariance and charge conservation of an electron gas in a strong random potential perturbed by a weak electromagnetic field. We use quantum equations of motion and Ward identities for one- and two-particle…

Disordered Systems and Neural Networks · Physics 2008-09-16 V. Janis , J. Kolorenc , V. Spicka

We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…

Materials Science · Physics 2007-05-23 Thomas Kreibich , Robert van Leeuwen , E. K. U. Gross

Density functionals with a range-separated treatment of the exchange energy are known to improve upon their semilocal forerunners and fixed-fraction hybrids. The conversion of a given semilocal functional into its short-range analog is not…

Chemical Physics · Physics 2019-09-09 Dimitri N. Laikov

We investigate the ground-state properties of two-component Bose gases confined in one-dimensional harmonic traps in the scheme of density-functional theory. The density-functional calculations employ a Bethe-ansatz-based local-density…

Strongly Correlated Electrons · Physics 2009-10-15 Yajiang Hao , Shu Chen

We find that the spin susceptibility of a two-dimensional electron system with valley degeneracy does not grow critically at low densities, at variance with experimental results [A. Shashkin et al., Phys. Rev. Lett. 96, 036403 (2006)]. We…

Strongly Correlated Electrons · Physics 2009-07-09 M. Marchi , S. De Palo , S. Moroni , Gaetano Senatore

We fit finite-temperature path integral Monte Carlo calculations of the exchange-correlation energy of the 3D finite-temperature homogeneous electron gas in the warm-dense regime (r_{s} = (3/4\pi n)^{1/3} a_{B}^{-1} < 40 and \Theta =…

Strongly Correlated Electrons · Physics 2014-09-11 Ethan W. Brown , Jonathan L. DuBois , Markus Holzmann , David M. Ceperley

Local and semilocal density-functional approximations for the exchange-correlation energy fail badly in the zero-thickness limit of a quasi-two-dimensional electron gas, where the density variation is rapid almost everywhere. Here we show…

Materials Science · Physics 2009-11-13 Lucian A. Constantin , John P. Perdew , J. M. Pitarke

We derive an exact result for the averaged Feynman propagator and the corresponding density of states of an electron in two dimensions in a perpendicular homogeneous magnetic field and a Gaussian random potential with long-range spatial…

Mesoscale and Nanoscale Physics · Physics 2009-10-28 Lothar Spies , Walter Apel , Bernhard Kramer

The electron self-energy for long-range Coulomb interactions plays a crucial role in understanding the many-body physics of interacting electron systems (e.g. in metals and semiconductors), and has been studied extensively for decades. In…

Strongly Correlated Electrons · Physics 2020-08-25 Yunxiang Liao , Donovan Buterakos , Mike Schecter , Sankar Das Sarma

The dielectric formalism is used to set up an approximate description of a spatially homogeneous weakly interacting Bose gas in the collision-less regime, which is both conserving and gap-less, and has coinciding poles of the…

Statistical Mechanics · Physics 2016-08-31 Martin Fliesser , Jürgen Reidl , Péter Szépfalusy , Robert Graham

In principle, many-electron correlation energy can be precisely computed from a reduced Wigner distribution function ($\mathcal{W}$) thanks to a universal functional transformation ($\mathcal{F}$), whose formal existence is akin to that of…

Chemical Physics · Physics 2019-01-23 Rutvij Vihang Bhavsar , Raghunathan Ramakrishnan

A simple approximation which captures some non-perturbative aspects of the one electron Green function of strongly interacting Fermion systems is developed. It provides a way to go one step beyond the usual dilute limit since…

Condensed Matter · Physics 2016-08-31 Ted Hsu , Benoit Doucot

A semi-relativistic density-functional theory that includes spin-orbit couplings and Zeeman fields on equal footing with the electromagnetic potentials, is an appealing framework to develop a unified first-principles computational approach…

Materials Science · Physics 2017-09-13 S. Pittalis , G. Vignale , F. G. Eich

We study the accuracy of analytical wave function based many-body methods derived by energy minimization of a Jastrow-Feenberg ansatz for electrons (`Fermi hypernetted chain / Euler Lagrange' approach). Approximations to avoid the…

Other Condensed Matter · Physics 2019-06-05 Martin Panholzer , Raphael Hobbiger , Helga Böhm

We report an analytical representation of the correlation energy ec(rs, zeta) for a uniform electron gas (UEG), where rs is the Seitz radius or density parameter and zeta is the relative spin polarization. The new functional, called W20, is…

Chemical Physics · Physics 2021-01-27 Qing-Xing Xie , Jiashun Wu , Yan Zhao

The dependence of the three lowest order spatial correlation functions of a harmonically confined Bose gas on temperature and interaction strength is presented at equilibrium. Our analysis is based on a stochastic Langevin equation for the…

Other Condensed Matter · Physics 2009-11-11 N. P. Proukakis

Electron density and electron momentum density, while independently tractable experimentally, bear no direct connection without going through the many-electron wave function. However, invoking a variant of the constrained-search formulation…

Atomic Physics · Physics 2009-11-11 M. K. Harbola , Rajendra R. Zope , Anjali Kshirsagar , Rajeev K. Pathak