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Second-order coupled perturbed hartree—fock equations for closed-shell and open-shell self-consistent-field wavefunctions

✍ Scribed by Yoshihiro Osamura; Yukio Yamaguchi; Henry F. Schaefer III


Book ID
107942156
Publisher
Elsevier Science
Year
1986
Tongue
English
Weight
865 KB
Volume
103
Category
Article
ISSN
0301-0104

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Second-order Møller-Plesset perturbation
✍ Kenneth G. Dyall 📂 Article 📅 1994 🏛 Elsevier Science 🌐 English ⚖ 552 KB

Moller-Plesset perturbation theory is developed to second order for a selection of Kramers-restricted Dirac-Hartree-Fock closed-and open-shell reference wavefunctions. The open-shell wavefunctions considered are limited to those with no more than two electrons in open shells, but include the case of