Abstract
The lineshapes of the absorption and magnetic circular dichroism spectra of KBr:Pb2+ have been calculated at several temperatures in the range 20-250K. The Hamiltonian of the system, which includes the linear electron-phonon interaction was diagonalised directly. Integration over the coordinates which describe the interaction with modes of Eg and T2g symmetry was carried out by the gaussian quadrature method. The interaction with the A1g modes was accomplished by the usual convolution procedure. The conventional semiclassical approximation has been modified to take into account the difference in the effective frequencies of the cubic and non-cubic vibrational modes. Comparison of the calculated and experimental spectra show good agreement up to about 120K. The discrepancies at higher temperatures are considered to be due primarily to higher terms in the electron-phonon interaction; a conclusion that is supported by a moments analysis of the experimental spectra.
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