Theory of two coupled triplet states - electrostatic energy splittings

Abstract

Electrostatic energies of the singlet (S), triplet (T) and quintet (Q) pair states of two coupled triplet states are derived in a Heider-London type of approximation. The resulting splittings are determined by electron pair exchange and single electron exchange integrals. The latter are, in particular, responsible for the experimentally observed singlet-triplet splitting. © 1982.