The interaction polarizability and interaction second-hyperpolarizability for He⋯He

David M. Bishop, Michel Dupuis

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Calculations are reported of the mean polarizability Δα + ̄ and the mean second hyperpolarizability Δγ + ̄ which emanate from the interaction between two helium atoms. The results are based on three levels of calculation (SCF, MP2 and MP4) and for a wide range of interparticle separations. The values of Δα + ̄ and Δγ + ̄, after correction for basis set superposition error, are used (a) to discuss long-range dispersion and dipole-induced-dipole effects, and (b) to assess the approximate formulas for these effects which have been obtained from perturbation theory as opposed to the present 'supermolecular' calculations. The results are used also to determine the second dielectric virial coefficient and the second virial coefficient of the second hyperpolarizability; these are found to be -0·0614cm6 mol-2 and -1·41 cm3 mol-1, respectively.

Original languageEnglish
Pages (from-to)887-898
Number of pages12
JournalMolecular Physics
Volume88
Issue number4
Publication statusPublished - Jul 1996

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Helium
virial coefficients
dipoles
interactions
helium atoms
self consistent fields
perturbation theory
Atoms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

The interaction polarizability and interaction second-hyperpolarizability for He⋯He. / Bishop, David M.; Dupuis, Michel.

In: Molecular Physics, Vol. 88, No. 4, 07.1996, p. 887-898.

Research output: Contribution to journalArticle

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