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.
Reference7 articles.
1. H irschfelder J . O. Curtis C. F . & B ird R . B. 1954 Molecular theory of gases and liquids. New Y ork: W iley and Sons.
2. Proc. Roy;Longuet H .;Soc. A,1956
3. M argenau H . 1939 Rev. M od. P hys. 11 1.
4. Mulliken R . S. 1949 J . Chim. phys. 46 497.
5. Molecular Compounds and their Spectra. II
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