Interaction potentials for He–HF and Ar–HF using the Gordon–Kim method
- 15 April 1976
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (8) , 3091-3096
- https://doi.org/10.1063/1.432643
Abstract
Interaction potentials computed by the method of Gordon and Kim are presented for the He–HF and Ar–HF systems. Results are given at five angles and five HF distances for 12 He–HF separations and 14 Ar–HF separations, spanning both the shallow attractive well and part of the repulsive core in each case. Agreement with variationally determined results for He–HF reported previously is very good and similar accuracy is expected for the Ar–HF results. These potentials should therefore be suitable for scattering calculations.Keywords
This publication has 13 references indexed in Scilit:
- Hartree–Fock and Gordon–Kim interaction potentials for scattering of closed-shell molecules by atoms: (H2CO,He) and (H2,Li+)The Journal of Chemical Physics, 1975
- Calculation of molecule-molecule intermolecular potentials using electron gas methodsChemical Physics Letters, 1975
- Comment on determination of the interaction potential between Ar and HClThe Journal of Chemical Physics, 1974
- AB initio calculations on intermolecular forces. The systems He…HF and He…H2OChemical Physics Letters, 1973
- Study of the potential curves of xenon with other rare gas atomsThe Journal of Chemical Physics, 1973
- A theory for the interactions between closed shell systemsChemical Physics Letters, 1973
- Rotational Relaxation in Dilute Gas MixturesThe Journal of Chemical Physics, 1972
- Theory for the Forces between Closed-Shell Atoms and MoleculesThe Journal of Chemical Physics, 1972
- Electronic Structure of Diatomic Molecules. VI.A. Hartree—Fock Wavefunctions and Energy Quantities for the Ground States of the First-Row Hydrides, AHThe Journal of Chemical Physics, 1967
- Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like IonsPhysical Review B, 1965