Presentation Information

[14p-K308-4]Nonadiabatic Configuration Interaction Singles method using channel orbitals

〇Takeshi Sato1, Kenichi Ishikawa1 (1.The Univ. of Tokyo)

Keywords:

Attosecond science,Nonadiabatic molecular dynamics

Development of nonadiabatic configuration Interaction singles method using channel orbitals and its application to dissociation dynamics of molecular hydrogen are reported.

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