All-forward semiclassical simulations of nonlinear response functions.
We propose a quantum trajectory algorithm for computing nonlinear response functions of condensed phase molecular systems based on a time-ordered expansion of the density matrix. The nth-order response function is expressed as a sum of 2(n) impulsive response pathways representing trajectories involving zero, one, and up to n interactions with short external pulses. These are evaluated using a forward propagation algorithm based upon a Liouville space extension of the Bohmian propagation method.
Mukamel
Shaul
S
Department of Chemistry, University of California-Irvine, Irvine, California 92697-2025, USA. smukamel@uci.edu
Maddox
Jeremy B
JB