The theory of intermolecular forces in the region of small orbital overlap
- 23 March 1965
- journal article
- Published by The Royal Society in Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences
- Vol. 284 (1399) , 566-581
- https://doi.org/10.1098/rspa.1965.0081
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.Keywords
This publication has 3 references indexed in Scilit:
- Molecular Complexes and their Spectra. IX. The Relationship between the Stability of a Complex and the Intensity of its Charge-transfer Bands1Journal of the American Chemical Society, 1959
- Molecular Compounds and their Spectra. IIJournal of the American Chemical Society, 1952
- Quelques aspects de la théorie des orbitales moléculairesJournal de Chimie Physique et de Physico-Chimie Biologique, 1949