Unified time-path approach to the effect of anharmonicity on the molecular vibrational spectroscopy in solution

1089-7690

AIP Digital Archive

Physics

Chemistry and Pharmacology

We obtain a closed expression for the response function for damped anharmonic vibrational modes using the Feynman rule obtained through the nonequilibrium generating functional derived in our previous paper [Phys. Rev. E 53, 214 (1996)]. The linear absorption spectra are explicitly calculated through the Feynman diagrams for molecules with anharmonic potential in solution. The dependence of the spectra both on the temperature and on the solvent nature can be taken into account in our theory. The result is examined numerically for various dampings, anharmonicities, and temperatures. © 1996 American Institute of Physics.

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