Theory of nonadiabatic electronic and nuclear dynamics in laser fields; Observation and control

Abstract

We discuss nonadiabatic dynamics in molecules, which is a typical manifestation of the strong quantum mechanical entanglement between electrons and nuclei, from two aspects; (i) femto- and subfemto-second pump-probe photoelectron spectroscopy with full quantum nuclear wavepacket dynamics, incorporating the geometry- and energy-dependent photoionization matrix elements [1,2], and (ii) the faster electron wavepacket dynamics nonadiabatically coupled with the non-Born-Oppenheimer nuclear paths in laser fields [3,4]. These studies are devoted to direct (real-time) observation of such very fundamental processes in excited state molecular dynamics and to a possible control of chemical reactions through intelligent modification of the electronic states.