This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, Fn(r), independent of v(r), such that the expression E≡∫v(r)n(r)dr+Fn(r) has as its minimum value the correct ground-state energy associated with v(r). The functional Fn(r) is then discussed for two situations: (1) n(r)=n0+ñ(r), ñ / n0≪1, and (2) n(r)=ϕ(r / r0) with ϕ arbitrary and r0→∞. In both cases F can be expressed entirely in terms of the correlation energy and linear and higher order electronic polarizabilities of a uniform electron gas. This approach also sheds some light on generalized Thomas-Fermi methods and their limitations. Some new extensions of these methods are presented.
Description
Phys. Rev. 136 (1964): P. Hohenberg and W. Kohn - Inhomogeneous Electron Gas
%0 Journal Article
%1 HohenbergKohn1964
%A Hohenberg, P.
%A Kohn, W.
%D 1964
%I American Physical Society
%J Phys. Rev.
%K DFT
%N 3B
%P B864--B871
%R 10.1103/PhysRev.136.B864
%T Inhomogeneous Electron Gas
%V 136
%X This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, Fn(r), independent of v(r), such that the expression E≡∫v(r)n(r)dr+Fn(r) has as its minimum value the correct ground-state energy associated with v(r). The functional Fn(r) is then discussed for two situations: (1) n(r)=n0+ñ(r), ñ / n0≪1, and (2) n(r)=ϕ(r / r0) with ϕ arbitrary and r0→∞. In both cases F can be expressed entirely in terms of the correlation energy and linear and higher order electronic polarizabilities of a uniform electron gas. This approach also sheds some light on generalized Thomas-Fermi methods and their limitations. Some new extensions of these methods are presented.
@article{HohenbergKohn1964,
abstract = {This paper deals with the ground state of an interacting electron gas in an external potential v(r). It is proved that there exists a universal functional of the density, F[n(r)], independent of v(r), such that the expression E≡∫v(r)n(r)dr+F[n(r)] has as its minimum value the correct ground-state energy associated with v(r). The functional F[n(r)] is then discussed for two situations: (1) n(r)=n0+ñ(r), ñ / n0≪1, and (2) n(r)=ϕ(r / r0) with ϕ arbitrary and r0→∞. In both cases F can be expressed entirely in terms of the correlation energy and linear and higher order electronic polarizabilities of a uniform electron gas. This approach also sheds some light on generalized Thomas-Fermi methods and their limitations. Some new extensions of these methods are presented.},
added-at = {2009-05-29T12:20:33.000+0200},
author = {Hohenberg, P. and Kohn, W.},
biburl = {https://www.bibsonomy.org/bibtex/29089ce780b34295a3aeeef9d6875cda4/ondrej.marsalek},
description = {Phys. Rev. 136 (1964): P. Hohenberg and W. Kohn - Inhomogeneous Electron Gas},
doi = {10.1103/PhysRev.136.B864},
interhash = {768a46ec6e3e56a9ab77cc01695db5d6},
intrahash = {9089ce780b34295a3aeeef9d6875cda4},
journal = {Phys. Rev.},
keywords = {DFT},
month = Nov,
number = {3B},
numpages = {7},
pages = {B864--B871},
publisher = {American Physical Society},
timestamp = {2009-06-12T11:03:43.000+0200},
title = {Inhomogeneous Electron Gas},
volume = 136,
year = 1964
}