Vibrational excitons in alpha-helical polypeptides: multiexciton self-trapping and related infrared transient absorption.
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.
Tsivlin
Dmitry V
DV
Institut für Physik, Humboldt-Universität zu Berlin, D-12489 Berlin, Federal Republic of Germany. tsivlin@physik.hu-berlin.de
Meyer
Hans-Dieter
HD
May
Volkhard
V