van der Waals interaction potentials: Many-body effects

Many-body contributions to van der Waals interaction potentials are discussed using the Hartree-Fock approximation as a zero-order model and diagrammatic many-body perturbation theory to describe electron correlation effects. A perturbation series is obtained for the effects of electron correlation...

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Veröffentlicht in:Molecular physics 1985-05, Vol.55 (1), p.199-210
Hauptverfasser: Wells, B.H., Wilson, S.
Format: Artikel
Sprache:eng
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Zusammenfassung:Many-body contributions to van der Waals interaction potentials are discussed using the Hartree-Fock approximation as a zero-order model and diagrammatic many-body perturbation theory to describe electron correlation effects. A perturbation series is obtained for the effects of electron correlation on each of the terms in the expansion of the total interaction energy in its n-body components. Generalizations of the function counterpoise technique are used to allow for basis set superposition effects in calculations of many-body components of interaction energies. Prototype calculations are reported for the helium trimer.
ISSN:0026-8976
1362-3028
DOI:10.1080/00268978500101271