Abstract
A relatively simple tractable scheme for the evaluation of the isotropic intermolecular potential between two closed-shell systems, which contains one adjustable parameter, is proposed and tested using the He-He, Ne-Ne, Ar-Ar, Kr-Kr, and H2-H2 interactions as models. The approach is based on expressing the potential as a sum of exchange (E x) and coulomb (E c) contributions. A semi-empirical approximation, which is a simple function of the first order coulomb energy (E c (1)), is used to represent E x. The representation for E c is based on E c (1) and a suitably universally damped asymptotic expansion of the second-order coulomb energy through O(R -10). The adjustable parameter formally occurs in the representation for E x and influences the balance between E x and E c in the representation of the potential. The results obtained for the model systems are in excellent agreement with reliable literature potentials, many of which contain several adjustable parameters, and suggest that the scheme proposed he...
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