The theory of intermolecular forces in the region of small orbital overlap

Author:

Abstract

A general theory is given of the intermolecular energy when there is small overlap between orbitals of different molecules. The energy is expanded as a power series in the intermolecular potential U and the overlap integral S , and expressions are given for the contributions to the energy up to order U 2 S 2 . We have defined exchange energy by the contribution of order U S 2 . This leads to a simpler expression than the more familiar valence-bond definition of the term. The energy contributions of order U 2 S 2 may be subdivided into two parts, exchange polarization energy and charge transfer energy. The mathematical validity of this subdivision is discussed.

Publisher

The Royal Society

Subject

Pharmacology (medical)

Reference7 articles.

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