Theory of two coupled triplet states - electrostatic energy splittings

  • Kollmar C
  • Sixl H
  • Benk H
 et al. 
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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.

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Authors

  • C. Kollmar

  • H. Sixl

  • H. Benk

  • V. Denner

  • G. Mahler

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