CORRELATION-ENERGY DENSITY-FUNCTIONAL FORMULAS FROM CORRELATING FIRST-ORDER DENSITY-MATRICES

Authors
LEVY M GORLING A
Citation
M. Levy et A. Gorling, CORRELATION-ENERGY DENSITY-FUNCTIONAL FORMULAS FROM CORRELATING FIRST-ORDER DENSITY-MATRICES, Physical review. A, 52(3), 1995, pp. 1808-1810
Citations number
7
Categorie Soggetti
Physics
Journal title
Physical review. A → ACNP
ISSN journal
10502947
Volume
52
Issue
3
Year of publication
1995
Pages
1808 - 1810
Database
ISI
SICI code
1050-2947(1995)52:3<1808:CDFFCF>2.0.ZU;2-#
Abstract
Explicit formal formulas for exact density-functional correlation ener gies are derived and expressed in terms of correlating first-order den sity matrices (one-matrices) that are functionals of the density. The correlation energy for a full calculation is considered, as well as on e intended as an addition to a completed calculation that excludes cor relation. Several constraints for the one-matrices are shown.