"Ab initio surface hopping excited-state molecular dynamics approach on the ..."

Muneaki Kamiya, Tetsuya Taketsugu (2019)

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DOI: 10.1002/JCC.25727

access: closed

type: Journal Article

metadata version: 2023-09-30

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Muneaki Kamiya, Tetsuya Taketsugu:
Ab initio surface hopping excited-state molecular dynamics approach on the basis of spin-orbit coupled states: An application to the A-band photodissociation of CH3I. J. Comput. Chem. 40(2): 456-463 (2019)

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