Abstract

Calculated band shapes for 2s to 2p absorption and MCD transitions with a strong Jahn-Teller interaction and competing spin-orbit coupling are reported. A structure of sharp resonances on the high-energy side of the bands is found, and the bands have a characteristic non-gaussian shape. The results are interpreted in terms of a set of vibronic wavefunctions on nearly adiabatic potential surfaces. The computations are made possible by the use of a Lanczos routine for matrix diagonalisation devised by Parlett and Reid (1980).

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