ANALYSIS OF DYNAMICAL AND NONDYNAMIC COMPONENTS OF ELECTRON CORRELATION-ENERGY BY MEANS OF LOCAL-SCALING DENSITY-FUNCTIONAL THEORY

Citation
E. Valderrama et al., ANALYSIS OF DYNAMICAL AND NONDYNAMIC COMPONENTS OF ELECTRON CORRELATION-ENERGY BY MEANS OF LOCAL-SCALING DENSITY-FUNCTIONAL THEORY, The Journal of chemical physics, 106(22), 1997, pp. 9227-9235
Citations number
33
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
ISSN journal
00219606
Volume
106
Issue
22
Year of publication
1997
Pages
9227 - 9235
Database
ISI
SICI code
0021-9606(1997)106:22<9227:AODANC>2.0.ZU;2-M
Abstract
The partitioning of electron correlation energy into dynamical and non dynamical components is examined in the context of the local-scaling t ransformation version of density-functional theory and its connection with the Hohenberg-Kohn-Sham density-functional-theory definition of e lectron correlation is discussed. The relative importance of these com ponents is analyzed with reference to the helium atom and its isoelect ronic series. The present results attest to the preponderantly dynamic al character of the recovered correlation energy. (C) 1997 American In stitute of Physics.