XVIth International Workshop on
Quantum Systems in
Chemistry and Physics
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Theoretical Treatments of Ultrafast Non-adiabatic Processes by the Density Matrix Method
Y. L. Niu1 C. K. Lin1 C. Y. Zhu1 Y. Fujimura1 M. Hayashi2 and Sheng Hsien Lin1

1Department of Applied Chemistry, Institute of Molecular Science and Center for Interdisciplinary Molecular Science, National Chiao-Tung University, Hsinchu Taiwan
2Center for Condensed Matter Sciences, National Taiwan University, Taipei Taiwan
Using femto-second time-resolved experiments to study ultrafast processes, quantum beat is often observed. To analyze the fs time-resolved spectra, the density matrix method which can take care of the description of the dynamics of population and coherence of the system is a powerful theoretical technique. In this talk, the π π* - n π* transition of pyrazine will be used as an example to demonstrate the application of the density matrix method. Recently, Suzukiís group have employed the 22 fs laser to study the dynamics of the n π* state of pyrazine. In this case, conical intersection is commonly believed to play an important role in this non-adiabatic process. How to treat the effect of conical intersection on non-adiabatic processes and fs time-resolved spectra will be presented.


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