The shifted scheme in the general-model-space diagrammatic perturbation theory

Gabriel Hose*, Uzi Kaldor

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract

The shifted scheme of many-body perturbation theory is applied to open-shell states within the framework of the general-model-space theory. Rules for shifting the denominators of folded diagrams. which appear in open-shell perturbation expansions, are given. The finite-order energies in the shifted scheme obtained in two equivalent representations may differ. This happens, for instance, in the case of triplet states. For 3Σu + states of the He2, differences up to 0.07 mhartree have been found in third order. A similar phenomenon is the size inconsistency of the shifted scheme observed by Silver in the ground state of He2. A possible advantage of the shifted scheme is its faster convergence for excited states.

Original languageEnglish
Pages (from-to)469-479
Number of pages11
JournalChemical Physics
Volume62
Issue number3
DOIs
StatePublished - 15 Nov 1981

Fingerprint

Dive into the research topics of 'The shifted scheme in the general-model-space diagrammatic perturbation theory'. Together they form a unique fingerprint.

Cite this