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Presented By: Department of Chemistry

Insights into the Meaning of Exchange Energy

Viktor Staroverov (University of Western Ontario)

The concept of exchange energy is a distinctive feature of quantum-mechanical models of many-electron systems. Usually, only exchange interactions involving spin-1/2 fermions (electrons) are considered. We deduce and examine Hartree-Fock exchange energy formulas and exchange density functionals for fermions of arbitrary spin quantum number. The explicit spin-dependence provides illuminating insights into the meaning of exchange interactions, correspondence principle, self-interaction error, and other concepts of electronic structure theory.

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