ISSN:
1432-2234
Keywords:
Many-body diagrammatic perturbation theory
;
Correlation energy
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Abstract The many-body diagrammatic perturbation theory is used for calculation of the correlation energy of closed-shell molecular systems. We apply Brueckner's concept of the two-particle renormalized interaction defined by a non-linear diagrammatic expression containing all possible (diagonal and/or non-diagonal) particle-particle, hole-hole and particle-hole intermediate elementary processes. Then, a “second-order” simple diagrammatic expression for the correlation energy can be formed, where the correlation energy is approximated by all the diagrams with biexcited intermediate states. An illustrative numerical application for the LiH molecule is presented.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF00552681
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