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Comments on the exclusion-principle-violating diagrams cancellation in correlations energy calculation by many-body Rayleigh–Schrödinger perturbation theory

✍ Scribed by Ivan Hubač

Publisher: John Wiley and Sons
Year: 1980
Tongue: English
Weight: 618 KB
Volume: 17
Category: Article
ISSN: 0020-7608
DOI: 10.1002/qua.560170205

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✦ Synopsis

Abstract

When calculating the correlation energy where the effect of higher than double excitations is included by means of many‐body Rayleigh–Schrödinger perturbation theory (MB‐RSPT) through fourth order the problem of cancellation of exclusion‐principle‐violating (EPV) diagrams arises. The cancellation of EPV diagrams in fourth order of MB‐RSPT is demonstrated for diagrams which include the effect of tetraexcitations.

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