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Construction of open shell perturbation theory invariant with respect to orbital degeneracy
Construction of open shell perturbation theory invariant with respect to orbital degeneracy
- Source :
- Chemical Physics Letters. 226:440-446
- Publication Year :
- 1994
- Publisher :
- Elsevier BV, 1994.
-
Abstract
- 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.
Details
- ISSN :
- 00092614
- Volume :
- 226
- Database :
- OpenAIRE
- Journal :
- Chemical Physics Letters
- Accession number :
- edsair.doi...........c2321a3e45776c0d66e7b65b256b8a55
- Full Text :
- https://doi.org/10.1016/0009-2614(94)00763-2