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 - researchr publication

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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. Journal of Computational Chemistry, 40(2):456-463, 2019. [doi]

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