Journal of Physical Chemistry A, Vol.102, No.23, 4277-4283, 1998
Real-time control of electronic motion : Application to HD+
We show that a nonstationary electron can be created in HD+ corresponding to partial electron transfer between H+ and D+. The electronic motion is introduced through nuclear motion, more specifically, through nonadiabatic curve crossing, and the electronic motion is here on the same time scale as the nuclear motion. We show that the branching ratio between the channels H + D+ and H+ + D depends on the electron distribution (i.e., where the electron "sits") prior to the time where the bond is broken by an infrared femtosecond pulse. Thus, we control-in real-time-which nucleus the electron will follow after the bond is broken.
Keywords:DEPENDENT SCHRODINGER-EQUATION;QUANTUM-MECHANICAL CALCULATIONS;RESONANT 2-PHOTON DISSOCIATION;SEQUENCE INDUCED CONTROL;LASER CONTROL;ABSORBING POTENTIALS;MOLECULAR-DYNAMICS;SELECTIVITY;PROPAGATION;ALGORITHM