The 103rd CSJ Annual Meeting

The 103rd CSJ Annual Meeting

Mar 22 - Mar 25, 2023Tokyo University of Science
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CSJ Annual Meeting
The 103rd CSJ Annual Meeting

The 103rd CSJ Annual Meeting

Mar 22 - Mar 25, 2023Tokyo University of Science

[K202-4pm-08]Nonadiabatic molecular dynamics simulations of photo-induced transition from neutral to ionic phases in TTF-CA organic molecular complex

○Tatsuki Hanada1, Hiroki Uratani1, Hiromi Nakai1,2(1. Waseda Univ. ASE, 2. Waseda Univ. WISE)
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[Lang.] Japanese

Keywords:

Photo-induced Phase Transtion,TTF-CA,Ab initio Molecular Dynamics,Nonadiabatic Molecular Dynamics,Ehrenfest Molecular Dynamics

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