van der Waals coefficients through C8 for atom–linear molecule interactions. I. CO2–noble gas systems
- 15 February 1976
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 64 (4) , 1659-1667
- https://doi.org/10.1063/1.432339
Abstract
Exact formulas for all the terms in the van der Waals C7 and C8 coeffcients for the interaction of an S-state atom with a Σ-state linear molecule are derived. The angle dependence is presented in convenient Legendre polynominal expansion form. Procedures for the calculation or estimation of the coefficients are proposed, discussed, and applied to CO2–noble gas atom interactions. Simple formulas are found to give good bounds for the angle-dependent part of C6. Although the uncertainties in the estimates of the higher coefficients are large, using them instead of C6 alone improves the long range potential considerably.Keywords
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