Abstract
Antisymmetrized products of strongly orthogonal geminals (APSG) and approximations thereof, provide a variational and size-consistent wave function but do not account for a sufficient amount of dynamical electron correlation. The latter effects can only be calculated by considering intergeminal interactions. In this study we present a general scheme for computing delocalization effects involving simultaneous interactions of two, three, and four geminals. We also describe a simple perturbative procedure, the APSG-MP2 method, by which APSG-type wave functions and the associated energies can be improved at a very low computational expense. © 2000 John Wiley & Sons, Inc. Int J Quant Chem 80: 96–104, 2000
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