Semiclassical effective Hamiltonian for coupled electronic and nuclear optical
response.
V. Chernyak, S. Tretiak, E.V. Tsiper, T. Meier, and S. Mukamel
Department of Physics, SUNY at Stony Brook, Stony Brook, NY 11794
We propose a new semiclassical method for computing the vibronic
structure of the optical response. By treating electronic degrees of
freedom in the TDHF approximation and including vibrational degrees of
freedom explicitly within the Born-Oppenheimer approximation, we
derive an effective Hamiltonian that describes the coupled electronic
and nuclear motions. In this paper we derive the harmonic part of the
effective Hamiltonian and apply it to compute the linear absorption
and fluorescence spectra of small polyenes.
Proc. of CMT22 Workshop, Condensed Matter Theories, Vol. 14, ed. by D. Ernst,
Vanderbilt (2000)
preprint version (11 pages):
PDF