Portal de Periódicos da CAPES

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

1981; Elsevier BV; Volume: 62; Issue: 3 Linguagem: Inglês

10.1016/0301-0104(81)85140-3

1873-4421

Gabriel Hose, Uzi Kaldor,

Atomic and Molecular Physics

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.