Combination rules for two-body van der Waals coefficients
- 1 May 1980
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 72 (9) , 5269-5275
- https://doi.org/10.1063/1.439764
Abstract
Combination rules are derived from which dispersion force coefficients for interactions between unlike molecules may be estimated in terms of those for the corresponding like interactions and the static polarizabilities or the sum rules. Relations between the different combination rules and the approximate dynamic polarizability function are examined. Values are calculated for the van der Waals coefficients c6, c8, and c10 of 55 atomic pairs formed from hydrogen, rare‐gas, and alkali atoms. Several of the rules give agreement within a few percent when these values are compared with accurate unlike coefficients.Keywords
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