Publication
The Journal of Chemical Physics
Paper

A Hartree-Fock interaction potential between a rigid asymmetric top and a spherical atom: (H2CO,He)

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Abstract

A basis set of better than "triple zeta plus polarization" quality is used to compute the interaction potential between a rigid H 2CO(1A1) and He(1S). The highly anisotropic energy surface has a slight attraction arising from induction effects at intermolecular separations around 9 a.u. It is fitted to a spherical harmonic expansion to facilitate scattering applications. Copyright © 1975 American Institute of Physics.

Date

03 Sep 2008

Publication

The Journal of Chemical Physics

Authors

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