Please use this identifier to cite or link to this item: http://hdl.handle.net/1959.3/41120

Title

Symmetry adapted perturbation theory of intermolecular potentials: the helium-helium interaction

Author(s)

Snook, Ian K.;  Spurling, Thomas H.

Abstract

The use of symmetry adapted perturbation theory to calculate intermolecular potentials in the important intermediate region is explored. A scheme is suggested which gives both the correct long range limit and the correct wavefunction symmetry order by order. A discussion of the accuracies of first order energies determined from approximate wavefunctions is given together with an approximate treatment of the second order energy. Finally, the overall potential obtained from this scheme for He2 is shown to be in good agreement with recent semi-empirical and variationally determined potentials.

Publication type

Journal article

Source

Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, Vol. 71 (1975), pp. 852-861

Publication year

1975

Keyword(s)

Chemical physics;  Perturbation theory;  Physical chemistry

Publisher

Royal Society of Chemistry

ISSN

0300-9238

Publisher URL

http://dx.doi.org/10.1039/F29757100852

Peer reviewed