Combined perturbative-variational investigation of the vibrations of CHBr3 and CDBr3

作者: Sai G. Ramesh , Edwin L. Sibert

DOI: 10.1063/1.1738643

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摘要: A full dimensional vibrational treatment of CHBr3 and CDBr3 using Van Vleck perturbation theory followed by a variational calculation is presented. The force field, its adjustment for better match with experiment, discussed. computed eigenstates spectral features are compared to experiment. Changes in intensities the ν1 2ν4 bands upon simple alterations dipole moment expansion described.

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