✦ LIBER ✦

Construction of open shell perturbation theory invariant with respect to orbital degeneracy

✍ Scribed by P.M. Kozlowski; E.R. Davidson

Publisher: Elsevier Science
Year: 1994
Tongue: English
Weight: 554 KB
Volume: 226
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(94)00763-2

No coin nor oath required. For personal study only.

✦ Synopsis

A form of open shell perturbation theory that is invariant with respect to orbital degeneracy is proposed. This new methodology is based entirely on the spin-restricted formalism. Preliminary numerical results are presented and compared with other formulations of perturbation theory.