Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule.
The multiconfiguration time-dependent Hartree (MCTDH) method is combined with the optimal control theory (OCT) to study femtosecond laser pulse control of multidimensional vibrational dynamics. Simulations are presented for the widely discussed three-electronic-level vibronic coupling model of pyrazine either in a three or four vibrational coordinate version. Thus, for the first time OCT is applied to a four-coordinate system. Different control tasks are investigated and also some general aspects of the OCT-MCTDH method combination are analyzed.
Wang
Luxia
L
Institut für Physik, Humboldt-Universität zu Berlin, Newtonstrasse 15, D-12489 Berlin, Germany. luxia@physik.hu-berlin.de
Meyer
Hans-Dieter
HD
May
Volkhard
V