Herman-Kluk semiclassical dynamics of molecular rotations in laser fields.
The action-angle mapping algorithm [R. Saha and M. Ovchinnikov, J. Chem. Phys. 124, 204112 (2006)] is utilized to provide a Herman-Kluk semiclassical initial value representation (SC-IVR) treatment of quantum dynamics of systems with non-Cartesian degrees of freedom. The non-Cartesian system under investigation is a linear rotor molecule in static electric and pulsed laser field. The results demonstrate that the SC-IVR procedure described in this work provides an accurate representation of quantum rotational dynamics of the system.
Saha
Rajdeep
R
Department of Physics and Astronomy, University of Rochester, Rochester, New York 14627, USA.
Ovchinnikov
M
M