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Exact density-functional theory is reconstructed here from its convex variational structure as two parallel exact ensemble hierarchies: an interacting hierarchy rooted in Lieb's ensemble formulation and a noninteracting hierarchy rooted in…

Chemical Physics · Physics 2026-05-01 Nan Sheng

An approximation for the exchange-correlation energy of reduced-density-matrix-functional theory was recently derived from a study of the homogeneous electron gas (N.N. Lathiotakis, N. Helbig, E.K.U. Gross, Phys. Rev. B 75, 195120 (2007)).…

Strongly Correlated Electrons · Physics 2009-11-13 N. N. Lathiotakis , N. Helbig , A. Zacarias , E. K. U. Gross

In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in…

Strongly Correlated Electrons · Physics 2015-06-03 Jian-Zhou Zhao , Jia-Ning Zhuang , Xiao-Yu Deng , Yan Bi , Ling-Cang Cai , Zhong Fang , Xi Dai

In the last decade, computational studies of liquid water have mostly concentrated on ground state properties. However recent spectroscopic measurements have been used to infer the structure of water, and the interpretation of optical and…

Materials Science · Physics 2016-08-31 David Prendergast , Jeffrey C. Grossman , Giulia Galli

We present a description of the behavior of a superfluid gas of fermions in the presence of a Feshbach resonance over the complete range of magnetic field detunings. Starting from a resonance Hamiltonian, we exploit a functional method to…

Soft Condensed Matter · Physics 2009-02-05 J. N. Milstein , S. J. J. M. F. Kokkelmans , M. J. Holland

We study the behavior of very thin liquid films wetting homogeneous planar and spherical substrates. In order to describe a simple fluid at very small scales, we employ a classical density functional theory (DFT). Here, we model a fluid…

Statistical Mechanics · Physics 2017-01-10 Andreas Nold

For closed-shell systems, the local density approximation (LDA) and the LYP, BLYP, and B3LYP functionals are shown to be compatible with reference-state one-particle density-matrix theory, where this recently introduced formalism is based…

Chemical Physics · Physics 2009-11-10 James P. Finley

We consider the lattice topological charge density introduced by Hasenfratz, Laliena and Niedermayer and propose its eigenmode expansion as a tool to investigate the structure of topological charge fluctuations in QCD. The resulting…

High Energy Physics - Lattice · Physics 2008-11-26 I. Horvath , S. J. Dong , T. Draper , F. X. Lee , K. F. Liu , H. B. Thacker , J. B. Zhang

We analyze the ground state energy and spin of quantum dots obtained from spin density functional theory (SDFT) calculations. First, we introduce a Strutinsky-type approximation, in which quantum interference is treated as a correction to a…

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

We present a unitary framework for dissipative quantum dynamics that can be efficiently applied to large-scale Fermi systems. The method introduces local Hermitian operators that emulate frictional forces while strictly preserving the…

Nuclear Theory · Physics 2025-12-16 J. E. Alba-Arroyo , Daniel Pęcak , Michael McNeil Forbes , Gabriel Wlazłowski

A system of fermions with a short-range interaction proportional to the scattering length $a$ is studied at finite density. At any order $a^n$, we evaluate the complete contributions to the energy per particle $\bar E(k_f)$ arising from…

Nuclear Theory · Physics 2015-05-27 N. Kaiser

The signature of superfluidity in bosonic systems is a sound wave-like spectrum of the single particle excitations which in the case of strong interactions is roughly temperature independent. In fermionic systems, where fermion pairing…

Superconductivity · Physics 2009-11-10 T. Domanski , J. Ranninger

We analyze the phase structure of mass- and spin-imbalanced unitary Fermi gases in harmonic traps. To this end, we employ Density Functional Theory in the local density approximation. Depending on the values of the control parameters…

Quantum Gases · Physics 2015-06-18 Jens Braun , Joaquín E. Drut , Thomas Jahn , Martin Pospiech , Dietrich Roscher

The first order gradient correction to the Thomas-Fermi functional, proposed by Haq, Chattaraj and Deb (Chem. Phys. Lett. vol. 81, 8031, 1984) has been studied by evaluating both the total kinetic energy and the local kinetic energy…

Other Condensed Matter · Physics 2015-05-13 David Garcia-Aldea , T. Martin-Blas , J. E. Alvarellos

The fractional quantum Hall effect remains a captivating area in condensed matter physics, characterized by strongly correlated topological order, which manifests as fractionalized excitations and anyonic statistics. Numerical simulations,…

Strongly Correlated Electrons · Physics 2025-10-27 Yi Yang , Yayun Hu , Zi-Xiang Hu

Recently, based on the method of collective variables the statistical field theory for multicomponent inhomogeneous systems was formulated [O. Patsahan, I. Mryglod, J.-M. Caillol, Journal of Physical Studies, 2007, 11, 133]. In this letter…

Statistical Mechanics · Physics 2012-07-13 O. Patsahan , I. Mryglod

In this paper we study the superfluid density of the two component Fermi gas in optical lattices with population imbalance. Three different type of phases, the BCS-state (Bardeen, Cooper, and Schrieffer), the FFLO-state (Fulde, Ferrel,…

Other Condensed Matter · Physics 2009-07-30 T. Paananen

We develop a theory of superconductivity (or superfluidity) based on condensed fermion quartets focusing on the dilute spin-$\frac{1}{2}$ systems at zero temperature. In the spirit of the Bardeen--Cooper--Schrieffer ansatz, a variational…

Superconductivity · Physics 2026-05-29 Qiao-Ru Xu , Congjun Wu

Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…

Chemical Physics · Physics 2026-02-20 Fabien Tran , Susi Lehtola , Stefano Pittalis , Miguel A. L. Marques

We develop a classical density functional for water which combines the White Bear fundamental-measure theory (FMT) functional for the hard sphere fluid with attractive interactions based on the Statistical Associating Fluid Theory…

Soft Condensed Matter · Physics 2013-09-10 Jessica Hughes , Eric Krebs , David Roundy