Charge overlap effects in dispersion energies
- 1 July 1979
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 71 (1) , 107-112
- https://doi.org/10.1063/1.438107
Abstract
Charge overlap effects in dispersion energies are calculated using frequency dependent atomic polarizabilities. The dispersion energy is expanded in the usual multipole interaction series but the dispersion coefficients are found to be given as a product, C (LA,LB) χ (LA,LB;R) where C (LA,LB) is the usual coefficient for nonoverlapping fragments and χ is called a damping function which equals one asymptotically. Damping functions have been calculated for He(11S)–He(11S), Be(11S)–Be(11S), and combination of He(23S), He(21S), He(11S), and H(12S). The results are used to analyze qualitatively the extent of the dispersion contribution to the energy of interactions at either the equilibrium separation or the critical distance for orbiting collisions.Keywords
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