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- W2078337022 abstract "A scheme for calculating three-dimensional wave-packet dynamics on conically intersecting Σ- and Π-surfaces of triatomic molecule is presented. General potentials are employed and all three nuclear degrees of freedom remaining after separation of the rotational motion (J = 0) are included. Difficulties in the treatment of the angular coordinate due to the different centrifugal potentials on both surfaces are removed by a suitable transformation of the Hamiltonian. The scheme is applied to study numerically dissociation dynamics starting from an excited repulsive Σ electronic state which is vibronically coupled to a bound Π state." @default.
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- W2078337022 date "1991-03-01" @default.
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- W2078337022 title "Three-dimensional wave-packet dynamics on vibronically coupled dissociative potential energy surfaces" @default.
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- W2078337022 doi "https://doi.org/10.1016/0009-2614(91)85049-3" @default.
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