## General Formalism of Vibronic Hamiltonians for Tetrahedral and Octahedral Systems: Problems That Involve T, E States and t, e Vibrations.

- Tao Zeng, Riley J Hickman, Aya Kadri, Issaka Seidu
- Journal of chemical theory and computation
- 2017

@article{Domcke2016RelativisticTO, title={Relativistic theory of the Jahn-Teller effect: p-orbitals in tetrahedral and trigonal systems.}, author={Wolfgang Domcke and Daniel Opalka and Leonid V. Poluyanov}, journal={The Journal of chemical physics}, year={2016}, volume={144 12}, pages={124101} }

- Published 2016 in The Journal of chemical physics
DOI:10.1063/1.4943863

A relativistic generalization of Jahn-Teller theory is presented which includes spin-orbit coupling effects beyond low-order Taylor expansions in vibrational coordinates. For the example of a p-electron in tetrahedral and trigonal environments, the matrix elements of the Breit-Pauli spin-orbit-coupling operator are expressed in terms of the matrix elements… CONTINUE READING

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