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Calculation of exchange energies using algebraic perturbation theory

This research was collaboration with Harvard University (rated in the top 5 of the world Universities) and the Hebrew University of Jerusalem. The exchange energy of a two-atom molecule is difficult to calculate when the atoms are far apart. A simple subtraction from the calculation of separate energies is highly inaccurate. The Herring-Holstein surface integral is used to obtain the exchange energy where the problem is regarded as a one-electron problem and the two wave functions are required for the valence electron of both atoms. A new perturbation method is developed and asymptotic estimates obtained for various molecules.