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

Hubač Ivan | Zendy

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

Author(s) -

Hubač Ivan

Publication year - 1980

Publication title -

international journal of quantum chemistry

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.484

H-Index - 105

eISSN - 1097-461X

pISSN - 0020-7608

DOI - 10.1002/qua.560170205

Subject(s) - perturbation theory (quantum mechanics) , perturbation (astronomy) , rayleigh scattering , schrödinger's cat , physics , diagram , statistical physics , mathematics , theoretical physics , mathematical physics , quantum mechanics , statistics

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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