121st General Meeting of the KCS

Type Award Lecture in Division
Area Recent Trends in Time- and Spatial-resolved Spectromicroscope
Room No. Room 402
Time THU 15:40-:
Code PHYS1-1
Subject Quantum Mechanical Dynamics
Authors Cheol Ho Choi
Department of Chemistry, Kyungpook National University, Korea
Abstract Over the years, we have been developing a method which could reveal the dynamical events of chemical reactions. Observing chemical reactions in real time is one of the ultimate goals of physical chemistry. Experimentally, a great deal of time-resolved spectroscopies as well as ultrafast X-ray have been developed to observe the events. Our initial attempts were the introductions of quantum theories to the molecular dynamics,[1,2] which has been the basic foundation for the further developments. Currently, we are developing a way to study fast chemical reaction dynamics including the “nonadiabatic processes” of internal conversions as well as intersystem crossings. In this talk, we introduce these on-going projects focusing on our new linear response theory for better descriptions of degenerate (or near-degenerate) electronic states.

[1] Choi, C. H., Re, S., Feig, M., & Sugita, Y. (2012). CPL, 539-540, 218–221.
[2] Fedorov, D. G., Sugita, Y., & Choi, C. H. (2013). JCPB, 117(26), 7996–8002.
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