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Given a vector space of microscopic quantum observables, density functional theory is formulated on its dual space. A generalized Hohenberg-Kohn theorem and the existence of the universal energy functional in the dual space are proven. In…

Nuclear Theory · Physics 2009-09-25 G. Rosensteel , Ts. Dankova

The density functional theory originally developed by Hohenberg, Kohn and Sham provides a rigorous conceptual framework for dealing with inhomogeneous interacting Fermi systems. We extend this approach to deal with inhomogeneous interacting…

Condensed Matter · Physics 2015-06-25 A. Griffin

We develop a theoretical method going beyond the contact-interaction approximation frequently used in mean-field theories of many-fermion systems, based on the low-energy T-matrix of the pair potential to rigorously define the effective…

Quantum Gases · Physics 2011-11-03 Stefano Simonucci , Giovanni Garberoglio , Simone Taioli

A previous analysis of scaling, bounds, and inequalities for the non-interacting functionals of thermal density functional theory is extended to the full interacting functionals. The results are obtained from analysis of the related…

Statistical Mechanics · Physics 2016-12-14 James W. Dufty , S. B. Trickey

A nuclear density functional can be used to find the binding energy and shell structure of nuclei and the energy gap in superconducting nuclear matter. In this paper, we study the possible application of a nuclear density functional theory…

Nuclear Theory · Physics 2011-04-08 Yeunhwan Lim

One-dimensional spinless Bose and Fermi gases with contact interactions have the close interrelation via Girardeau's Bose-Fermi mapping, leading to the correspondences in their energy spectra and thermodynamics. However, correlation…

Quantum Gases · Physics 2018-01-19 Yuta Sekino , Shina Tan , Yusuke Nishida

Density functional theory (DFT) is applied to atomic spectra under perturbations of superfluid liquid helium. The atomic DFT of helium is used to obtain the distribution of helium atoms around the impurity atom, and the electronic DFT is…

Nuclear Theory · Physics 2017-08-23 Takashi Nakatsukasa , Kazuhiro Yabana , George F Bertsch

Aspects of Density Functional Resonance Theory (DFRT) [Phys. Rev. Lett. \textbf{107}, 163002 (2011)], a recently developed complex-scaled version of ground-state Density Functional Theory (DFT), are studied in detail. The asymptotic…

Quantum Physics · Physics 2015-06-04 Daniel L. Whitenack , Adam Wasserman

We propose a way to improve energy density functionals (EDFs) in the density functional theory based on the combination of the inverse Kohn--Sham method and the density functional perturbation theory. Difference between the known EDF and…

Chemical Physics · Physics 2019-11-22 Tomoya Naito , Daisuke Ohashi , Haozhao Liang

We analyse a path to construct density functionals for the dispersion interaction energy from an expression in terms of the ground state densities and exchange-correlation holes of the isolated fragments. The expression is based on a…

Chemical Physics · Physics 2021-01-27 Derk P. Kooi , Paola Gori-Giorgi

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

Recently a novel approach to find approximate exchange-correlation functionals in density-functional theory (DFT) was presented (U. Mordovina et. al., JCTC 15, 5209 (2019)), which relies on approximations to the interacting wave function…

Chemical Physics · Physics 2021-03-04 Iris Theophilou , Teresa E. Reinhard , Angel Rubio , Michael Ruggenthaler

We investigate local quantum field theories for one-dimensional (1D) Bose and Fermi gases with contact interactions, which are closely connected with each other by Girardeau's Bose-Fermi mapping. While the Lagrangian for bosons includes…

Quantum Gases · Physics 2021-04-09 Yuta Sekino , Yusuke Nishida

We investigate a density-functional theory (DFT) approach for an unpolarized trapped dilute Fermi gas in the unitary limit . A reformulation of the recent work of T. Papenbrock [Phys. Rev. A, {\bf 72}, 041602(R) (2005)] in the language of…

Other Condensed Matter · Physics 2009-11-11 Brandon P. van Zyl , D. A. W. Hutchinson , Melodie Need

The first detailed comparison between ab initio calculations of finite fermionic superfluid systems, performed recently by Chang and Bertsch [Phys. Rev. A 76, 021603(R), (2007)] and by von Stecher, Greene and Blume [e-print…

Superconductivity · Physics 2009-02-05 Aurel Bulgac

In this chapter we discuss methods to calculate the entanglement of a system using density-functional theory. We firstly introduce density-functional theory and the local-density approximation (LDA). We then discuss the concept of the…

Other Condensed Matter · Physics 2015-05-18 J. P. Coe , I. D'Amico

The force-balance equation of time-dependent density-functional theory presents a promising route towards obtaining approximate functionals, however, so far, no practical correlation functionals have been derived this way. In this work,…

Chemical Physics · Physics 2025-04-08 Nicolas Tancogne-Dejean , Markus Penz , Michael Ruggenthaler , Angel Rubio

The thermodynamic approach to density functional theory (DFT) is used to derive a versatile theoretical framework for the treatment of finite-temperature (and in the limit, zero temperature) Bose-Einstein condensates (BECs). The simplest…

Quantum Gases · Physics 2015-05-20 Nathan Argaman , Y. B. Band

Density functional theory is discussed in the context of one-particle systems. We show that the ground state density $\rho_0(x)$ and energy $E_0$ are simply related to a family of external potential energy functions with ground state wave…

Quantum Physics · Physics 2009-11-10 H. L. Neal

We derive exact density functionals for systems of hard rods with first-neighbor interactions of arbitrary shape but limited range on a one-dimensional lattice. The size of all rods is the same integer unit of the lattice constant. The…

Statistical Mechanics · Physics 2013-12-17 Benaoumeur Bakhti , Gerhard Müller , Philipp Maass