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Related papers: Mathematical Elements of Density Functional Theory

200 papers

This is an intorduction to some of the basic methods and results of dense matter physics.It is aimed at readers interested in astrophysical and physical applications.

Astrophysics · Physics 2007-05-23 V. Celebonovic

A density-functional theory is developed based on the Maxwell--Schr\"odinger equation with an internal magnetic field in addition to the external electromagnetic potentials. The basic variables of this theory are the electron density and…

Chemical Physics · Physics 2018-01-17 Erik Tellgren

The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…

Strongly Correlated Electrons · Physics 2013-12-11 Peter E. Blöchl , Thomas Pruschke , Michael Potthoff

A relationship between the Riemann zeta function and a density on integer sets is explored. Several properties of the examined density are derived.

Methodology · Statistics 2015-02-10 R. J. Cintra , L. C. Rêgo , H. M. de Oliveira , R. M. Campello de Souza

We develop an ensemble density functional theory for the fractional quantum Hall effect using a local density approximation. Model calculations for edge reconstructions of a spin-polarized quantum dot give results in good agreement with…

Condensed Matter · Physics 2009-10-28 O. Heinonen , M. I. Lubin , M. D. Johnson

The density functional theory is extended to account for self-bound systems. To this end the Hohenberg-Kohn theorem is formulated for the intrinsic density and a Kohn-Sham like procedure for an $N$--body system is derived using the…

Nuclear Theory · Physics 2008-11-26 Nir Barnea

By combining methods of kinetic and density functional theory, we present a description of molecular fluids which accounts for their microscopic structure and thermodynamic properties as well as for the hydrodynamic behavior. We focus on…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Umberto Marini Bettolo Marconi , Simone Melchionna

I summarize Density Functional Theory (DFT) in a language familiar to quantum field theorists, and introduce several apparently novel ideas for constructing {\it systematic} approximations for the density functional. I also note that, at…

Materials Science · Physics 2015-03-11 T. Banks

Machine learning has now become an integral part of research and innovation. The field of machine learning density functional theory has continuously expanded over the years while making several noticeable advances. We briefly discuss the…

Chemical Physics · Physics 2021-12-13 Bhupalee Kalita , Kieron Burke

A theory is developed for magnetically confined Fermi gas at low temperature based on the density functional theory. The theory is illustrated by numerical calculation of density distributions of Fermi atoms $^{40}$K with parameters…

Atomic Physics · Physics 2009-11-07 Yu-Jun Chen , H. R. Ma

The restoration of particle number within Energy Density Functional theory is analyzed. It is shown that the standard method based on configuration mixing leads to a functional of both the projected and non-projected densities. As an…

Nuclear Theory · Physics 2011-08-08 Guillaume Hupin , Denis Lacroix , Michael Bender

We put forward a general procedure to obtain an approximate free energy density functional for any hard-core lattice gas, regardless of the shape of the particles, the underlying lattice or the dimension of the system. The procedure is…

Statistical Mechanics · Physics 2007-05-23 Luis Lafuente , Jose A. Cuesta

This is a brief review of the Thomas-Fermi ("statistical" or "density functional") theory of atoms and molecules.

Mathematical Physics · Physics 2007-05-23 Elliott H. Lieb

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

An approach to generalize any kind of collinear functionals in density functional theory to non-collinear functionals is proposed. This approach, for the very first time, satisfies the correct collinear limit for any kind of functionals,…

Quantum Physics · Physics 2023-01-26 Zhichen Pu , Hao Li , Qiming Sun , Ning Zhang , Yong Zhang , Sihong Shao , Hong Jiang , Yiqin Gao , Yunlong Xiao

We present a brief review of our recent efforts to develop a FDR-preserving field theory for the stochastic dynamic density functional model, emphasizing the essential structure of the theory.

Disordered Systems and Neural Networks · Physics 2015-05-13 Bongsoo Kim , Kyozi Kawasaki

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

We compare several definitions of the density of a self-bound system, such as a nucleus, in relation with its center-of-mass zero-point motion. A trivial deconvolution relates the internal density to the density defined in the laboratory…

Nuclear Theory · Physics 2007-07-27 B. G. Giraud

Basic issues of the time-dependent density-functional theory are discussed, especially on the real-time calculation of the linear response functions. Some remarks on the derivation of the time-dependent Kohn-Sham equations and on the…

Nuclear Theory · Physics 2017-01-06 Takashi Nakatsukasa

We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…

Strongly Correlated Electrons · Physics 2015-06-11 J. Lorenzana , Z. -J. Ying , V. Brosco