Non-expanded dispersion and induction energies, and damping functions, for molecular interactions with application to HF-He

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Abstract
The evaluation of second order non-expanded dispersion and induction energies, and the associated damping functions, for interactions involving molecules is discussed with emphasis placed on using the time-dependent coupled Hartree-Fock method. Results are given for the HF-He interaction for all individual partial wave non-expanded dispersion and induction energies varying asymptotically for large R through O(R -8) and O(R -10) respectively and for most of the individual dispersion energies varying as R -9 and R -10. They are used to illustrate various features of charge overlap effects and the damping functions for molecular interactions, which are considerably more complicated than for atom-atom interactions.

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