Abstract
Based on the multiexciton expansion of a model Hamiltonian, an accurate quantum-dynamical description of vibrational states formed by amide modes in alpha-helical polypeptides is presented. Using the multiconfiguration time-dependent Hartree method, linear and pump-probe infrared absorption spectra are calculated by numerical time propagation of the exciton-chain vibrational wave function. The formation of self-trapped exciton states is discussed within the approximation of adiabatic excitons and within the full quantum description.
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