The interaction polarizability and interaction second-hyperpolarizability for He···He
- 1 July 1996
- journal article
- research article
- Published by Taylor & Francis in Molecular Physics
- Vol. 88 (4) , 887-898
- https://doi.org/10.1080/00268979609484480
Abstract
Calculations are reported of the mean polarizability and the mean second hyperpolarizability 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 and , 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 −0·0614 cm6 mol−2 and −1·41 cm3 mol−1, respectively.Keywords
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