Chemical Physics Letters 262, 431-436 (1996)
Hayes L. Williamsa, Tatiana Koronab, Robert Bukowskib, Bogumil Jeziorskib, and Krzysztof Szalewicz a
a Department of Physics and Astronomy,
University of Delaware, Newark, DE 19716, USA
b Department of Chemistry, University of Warsaw,
Pasteura 1, 02-093 Warsaw, Poland
Helium dimer potential from symmetry-adapted perturbation theory
Abstract
The intermolecular potential for the helium dimer has been computed
using infinite-order symmetry-adapted perturbation theory and very
large orbital and explicitly correlated basis sets. Our
potential is significantly deeper than recent literature
potentials. After adding the relativistic retardation
correction, it accurately reproduces bulk properties
of helium, the inclusion of retardation being essential for
this agreement. Transport properties and virial
coefficients are expected to be accurate enough to
calibrate measuring apparatus.
Reprints are available on request. Send an e-mail to tatiana.korona@tiger.chem.uw.edu.pl
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