准量子方法研究NO（X）-He体系的转动非弹性散射过程.pdf

Abstract Quasi-Quantum Treatment of rotationally inelastic NO(X)-He scattering Xia Zhang Major: Atomic and Molecular Physics Supervisor: Prof. Steven Stolte Rotationally inelastic scattering is one of the fundamental collision-induced energy transfer processes that underlie intermolecular energy flow in chemically reacting systems such as atmospheric, combustion, thermal, cold and ultra-cold chemistry. The measurement of the fully quantum state-to-state resolved angular distribution of the scattered products, characterized as the differential cross sections (DCSs), represents one of the most fundamental quantities of inelastic scattering. It provides valuable information with different angular distribution corresponding to regimes of different dynamics. The collision of the NO(X) molecule onto a He atom is particularly interesting; due to the unpaired electron in the open-shell NO molecule allows the energy transfer into the excited rotational levels of its upper spin-orbit state. Moreover such a collision may also alter its Λ-doublet and hyperfine states. The NO(X) - rare gas atom collision system is a paradigm for what happens in a molecular collision involving more than one Born-Oppenheimer potential energy surface (PES). The quasi-quantum treatment (QQT) (Gijsbertsen et al., JACS 2006, 128, 8777) employs a Feynman path integration over angular variables in the kinematic apse frame to avoid the traditional quantum mechanical (QM) partial wave expansion approach, while requiring much less computational effort. QQT provides a physically compelling framework for the evaluation of rotationally inelastic scattering, in