Vibrational excitons in alpha-helical polypeptides: multiexciton self-trapping and related infrared transient absorption

The Journal of Chemical Physics
Dmitry V TsivlinV May

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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Citations

Aug 10, 2013·The Journal of Chemical Physics·Vincent Pouthier
Dec 21, 2006·The Journal of Chemical Physics·Dmitry V Tsivlin, Volkhard May
May 5, 2007·The Journal of Chemical Physics·Joachim SeibtVolker Engel
Oct 2, 2009·The Journal of Chemical Physics·Pavol BodisSander Woutersen
Jun 10, 2019·The Journal of Chemical Physics·Peter A Rose, Jacob J Krich
Aug 7, 2007·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Vincent Pouthier
Jan 28, 2021·The Journal of Chemical Physics·Peter A Rose, Jacob J Krich
Mar 5, 2009·Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics·Vincent Pouthier

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