Effect of Overlap on Dispersion Energies near the van der Waals Minimum
- 1 December 1968
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 49 (11), 4731-4733
- https://doi.org/10.1063/1.1669951
Abstract
It is shown that a single excited configuration with optimized can give accurate values of the dispersion‐energy coefficients of H2 and He2. The resulting wavefunctions are then used to obtain the effect of overlap on dispersion energies. It appears that this correction is small in the region of the van der Waals minimum.
Keywords
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