Exchange-hole dipole moment and the dispersion interaction
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.
- Publication:
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Journal of Chemical Physics
- Pub Date:
- April 2005
- DOI:
- Bibcode:
- 2005JChPh.122o4104B
- Keywords:
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- 34.20.Gj;
- 33.15.Kr;
- Intermolecular and atom-molecule potentials and forces;
- Electric and magnetic moments polarizability and magnetic susceptibility