A Calculation of the Bandshape for the Transition to the State with Jahn-Teller and Spin-Orbit Couplings

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  • Calculation of the Bandshape for the Tr

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The optical absorption bandshape for the transition from an s-like ground state to a vibronically coupled p-like set of excited states with spin-orbit coupling is calculated from a numerical approach. The vibronic energy levels and eigenstates of the p-like state are obtained by a numerical diagonalization of the Jahn-Teller plus spin-orbit operators. To explain the experimental band shape in cesium fluoride, it is essential to consider the effect of a T2g vibrational mode rather than an Eg vibrational mode. The strength of Jahn-Teller coupling and the spin-orbit coupling parameter for the F-center in cesium fluoride are estimated.

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