Photoionization And Photodissociation Dynamics Of The Diatomic Molecule In The Strong Femtosecond Laser Fields

Along with the development of the ultra-strong and ultra-fast laser pulses techniques, more and more theoretical and experimental research works have been done to study the atomic and molecular dynamics. Recently, the modern laser techniques are used to control the photochemical reaction dynamics instead of monitoring the dynamical processes. The more interesting phenomena were observed in the experiments, the more theoretical methods and models were required to explain these phenomena. These methods and models are based on solving the Schrodinger equation. So the theorists and experimenters are required to do many numerical calculations to solve the Schrodinger equation, especially, quantum numerical simulations on the potential energy surfaces.The main works in this thesis are about the photoionization and photodissociation of the diatomic molecules in gas phase. The time- and energy-resolved photo electronic spectrum (TERPES) can be calculated with the time-dependent wavepacket models developed by us. The excited states dynamic processes can be monitored because the TERPES are corresponded to the motions of the wavepacket on the excited states. This is also one of the most popular means to detect the molecular dynamics.Firstly, the TERPES are used to study the effect of the valence state B~2II of the nitric oxide to the Rydberg state C~2II. The effect can be reflected by the TERPES gotten by the pump and probe laser pulses whose full-width at half-maximum are 8fs. The conclusion, the effect of the valence state can not be omitted in the experimental researchs or theoretical simulations, can be drawn from these numerical results. Secondly, the TERPES are used to detect the laser-induced continuum structure (LICS) of the NO molecule in two-color femtosecond laser pulses. The TERPES, calculated by wavepacket method, clearly distinguished three ionization paths existing in the NO molecule. All these numerical results indicated that it needs more carefulness to explore the photoionization of the diatomic molecule in multi-color femtosecond laser...