The Spin-coupled Approach to Electronic Structure

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Abstract
Recent applications of spin-coupled theory are described, in which accuracy is combined with a clear physical picture of the behaviour of correlated electrons in molecules. Results are presented for gas phase ionic systems (H2O++ and CH4+), to indicate the level of accuracy that can be achieved. The physical pictures that emerge are illustrated by reference to a variety of systems, including CH2, C10H8, CH2N2, VH and Li4. Opportunities for the future application of spin-coupled valence bond theory to the calculation of interionic potentials in solids are stressed, including techniques analogous to those that have been used to study intermolecular forces.