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  • 02월 19일 10시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제121회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Quantum Mechanical Dynamics

등록일
2018년 3월 9일 11시 24분 42초
접수번호
6626
발표코드
PHYS1-1 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 15시 : 40분
발표형식
분과기념
발표분야
Physical Chemistry - Recent Trends in Time- and Spatial-resolved Spectromicroscope
저자 및
공동저자
Cheol Ho Choi
Department of Chemistry, Kyungpook National University, Korea
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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