Summary.
The problem of direct exchange is examined in the simplest cases (formal coupling of two electrons initially isolated and hydrogen molecule). Then we consider the general case of a solid characterized by weak overlaps between the atomic orbitals of first-nearest neighbours so that the involved electrons are quasi-localized. We recall the physical origin of spin-orbit coupling. Its influence on direct exchange allows one to revisit Hund’s rules and to express phenomenological Hamiltonians describing anisotropic couplings as well as the antisymmetrical Dzialoshinski-Moriya coupling.
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Curély, J. Magnetic Orbitals and Mechanisms of Exchange I. Direct Exchange. Monatshefte für Chemie 136, 987–1011 (2005). https://doi.org/10.1007/s00706-005-0305-z
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DOI: https://doi.org/10.1007/s00706-005-0305-z