ISSN:
1432-2234
Keywords:
Ne
;
CH4
;
Many body perturbation theory
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract Discrete basis many body perturbation calculations have been performed on Ne and CH4 in a basis which mimics Boys' oscillator orbitals. The L-shell correlation energy obtained for Ne was −0.347 which is to be compared with the best numerical basis many body perturbation result of −0.336 ± 0.01 obtained by Lee, Dutta and Das and the best variational result of −0.322 obtained by Sasaki and Yoshimine. An analysis of 3- and 4-body corrections (pair-pair repulsions) and the effects of many body EPV renormalization for both localized and canonical SCF orbitals is presented.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00547072
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