Critical analysis of the Colle-Salvetti wave-function functional of the density

Citation
R. Singh et al., Critical analysis of the Colle-Salvetti wave-function functional of the density, PHYS REV A, 60(5), 1999, pp. 4135-4139
Citations number
27
Categorie Soggetti
Physics
Journal title
PHYSICAL REVIEW A
ISSN journal
10502947 → ACNP
Volume
60
Issue
5
Year of publication
1999
Pages
4135 - 4139
Database
ISI
SICI code
1050-2947(199911)60:5<4135:CAOTCW>2.0.ZU;2-0
Abstract
An analysis of the Colle-Salvetti (CS) wave-function functional of the dens ity as applied to the He atom shows: (i) it is not normalized; (ii) the cor responding Coulomb hole structure is inaccurate; (iii) the Coulomb hole sum rule is violated; (iv) the Coulomb component of the Kohn-Sham (KS) correla tion potential is inaccurate; (v) the KS correlation potential is erroneous ; (vi) the Coulomb correlation and correlation-kinetic-energy components of the KS correlation energy are in error. Thus, the description by this wave function of the physics of electron correlation is inaccurate. As such the results obtained via the CS wave function and those based on it are not we ll founded.[S1050-2947(99)05411-6].