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Quantum Eigen Energy (Intermolecular) - MaRDI portal

Quantum Eigen Energy (Intermolecular)

From MaRDI portal

Available identifiers

MaRDI QIDQ6674525

eigenenergies of molecular vibrations, including the effects of intermolecular vibrations


For simplicity, here only for a chromophore interacting with solvent molecules of a different species. Hence, only non-degenerate perturbation theory (up to 2nd order) is used here. First and second order results for the 0->1 vibrational frequency|energy shifts are given as two separate formulations.