Optimal laser control of ultrafast photodissociation of I2- in water: mixed quantum/classical molecular dynamics simulation.
A linearized optimal control method in combination with mixed quantum/classical molecular dynamics simulation is used for numerically investigating the possibility of controlling photodissociation wave packets of I(2)(-) in water. Optimal pulses are designed using an ensemble of photodissociation samples, aiming at the creation of localized dissociation wave packets. Numerical results clearly show the effectiveness of the control although the control achievement is reduced with an increase in the internuclear distance associated with a target region. We introduce effective optimal pulses that are designed using a statistically averaged effective dissociation potential, and show that they semiquantitatively reproduce the control achievements calculated by using optimal pulses. The control mechanisms are interpreted from the time- and frequency-resolved spectra of the effective optimal pulses.
Nishiyama
Yoshikazu
Y
Department of Chemistry, Graduate School of Science, Tohoku University, Sendai 980-8578, Japan.
Kato
Tsuyoshi
T
Ohtsuki
Yukiyoshi
Y
Fujimura
Yuichi
Y