Second-order Møller-Plesset perturbation
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Kenneth G. Dyall
📂
Article
📅
1994
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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