Publication
Title
Nuclear cusp conditions for components of the molecular energy density relevant for density-functional theory
Author
Abstract
Nuclear cusp conditions are obtained for the full electron-electron interaction energy density as well as for the exchange and correlation energy densities of density-functional theory. Their form is the same as the form of the well known Kato cusp condition for the electron-number density. All these cusp conditions are valid for both the ground and excited states of a molecule or solid.
Language
English
Source (journal)
Physical review : A : atomic, molecular and optical physics. - Lancaster, Pa, 1990 - 2015
Publication
Lancaster, Pa : 2001
ISSN
1094-1622 [online]
1050-2947 [print]
Volume/pages
63:1(2001), p. 1-5
Article Reference
012520
ISI
000166383000053
Medium
E-only publicatie
Full text (Publisher's DOI)
Full text (open access)
UAntwerpen
Faculty/Department
Research group
Publication type
Subject
Affiliation
Publications with a UAntwerp address
External links
Web of Science
Record
Identification
Creation 03.01.2013
Last edited 18.09.2017
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