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Correlation energies of diatomics obtained with a nonlocal density functional

✍ Scribed by T.N. Zolotukhina; I.K. Dmitrieva

Publisher: Elsevier Science
Year: 1990
Tongue: English
Weight: 387 KB
Volume: 174
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(90)85503-5

No coin nor oath required. For personal study only.

✦ Synopsis

Nonlocal contributions to the correlation energy for diatomics are studied. We find a linear dependence on the number of electrons for small molecules when considering the Thomas-Fermi model. A linear dependence of a nonlocal contribution to correlation energy of diatomics on internuclear distance is revealed, and this relation is shown to be a consequence of the oneconfiguration HF approach.

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