Exchange-hole dipole moment and the dispersion interaction
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- 15 April 2005
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 122 (15), 154104
- https://doi.org/10.1063/1.1884601
Abstract
A simple model is presented in which the instantaneous dipole moment of the exchange hole is used to generate a dispersion interaction between nonoverlapping systems. The model is easy to implement, requiring no electron correlation (in the usual sense) or time dependence, and has been tested on various atomic and molecular pairs. The resulting C6 dispersion coefficients are remarkably accurate.Keywords
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