Abstract
A relativistic multimode Jahn−Teller effect for tetrahedral molecular complexes in a triplet electronic state is considered. The analysis is based on the symmetry properties of the electronic Hamiltonian and its generalized symmetry operators, acting on both the coordinates (spatial operations) and spins (matrix operations) of the electrons. As a result, a 9 × 9 vibronic matrix that includes the vibronic coupling constants of orbital and spin-orbital nature and depends on the five normal modes of t2 and e symmetry has been obtained.
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Original Russian Text © V.I. Osherov, L.V. Poluyanov, V.G. Ushakov, 2018, published in Khimicheskaya Fizika, 2018, Vol. 37, No. 1, pp. 3–12.
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Osherov, V.I., Poluyanov, L.V. & Ushakov, V.G. Relativistic Jahn–Teller Effect for Triplet States of Tetrahedral Molecular Complexes. Russ. J. Phys. Chem. B 12, 1–9 (2018). https://doi.org/10.1134/S1990793118010104
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DOI: https://doi.org/10.1134/S1990793118010104