Exact Density Functional Obtained via the Levy Constrained Search

A stochastic minimization method for a real-space wavefunction, Ψ(r ,r ...r ), constrained to a chosen density, ρ(r), is developed. It enables the explicit calculation of the Levy constrained search F[ρ]=min <Ψ|T+V |Ψ>, that gives the exact functional of density functional theory. This general...

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Bibliographic Details

Published in:	The journal of physical chemistry letters Vol. 9; no. 17; p. 4910
Main Authors:	Mori-Sanchez, Paula, Cohen, Aron J
Format:	Journal Article
Language:	English
Published:	United States 06.09.2018
ISSN:	1948-7185, 1948-7185
Online Access:	Get more information
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