Perspective on "Self-consistent equations including exchange and correlation effects" - Kohn W, Sham LJ (1965) Phys Rev A 140 : 133-1138

Authors
Citation
Ej. Baerends, Perspective on "Self-consistent equations including exchange and correlation effects" - Kohn W, Sham LJ (1965) Phys Rev A 140 : 133-1138, THEOR CH AC, 103(3-4), 2000, pp. 265-269
Citations number
39
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
THEORETICAL CHEMISTRY ACCOUNTS
ISSN journal
1432881X → ACNP
Volume
103
Issue
3-4
Year of publication
2000
Pages
265 - 269
Database
ISI
SICI code
1432-881X(200002)103:3-4<265:PO"EIE>2.0.ZU;2-A
Abstract
The paper by Kohn and Sham (KS) is important for at least two reasons. Firs t, it is the basis for practical methods for density functional calculation s. Second, it has endowed chemistry and physics with an independent particl e model with very appealing features. As expressed in the title of the KS p aper, correlation effects are included at the level of one-electron equatio ns, the practical advantages of which have often been stressed. An implicat ion that has been less widely recognized is that the KS molecular orbital m odel is physically well-founded and has certain advantages over the Hartree -Fock model. It provides an excellent basis for molecular orbital theoretic al interpretation and prediction in chemistry.