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- W2071769308 abstract "Potential energy curves for states of HBr2+ which correlate with the first six dissociation limits are calculated employing multi-reference configuration-interaction (MRD-CI) treatments in a Gaussian AO basis. Tunneling rates for the X 3Σ−, a 1Δ and b 1Σ+ vibrational levels in HBr2+ and DBr2+ are calculated as well as predissociation rates for vibrational levels of the a 1Δ and b 1Σ+ states resulting from spin-orbit interaction with the repulsive 3Π state. The spin-orbit coupling elements are evaluated explicitly by employing the Breit-Pauli operator and the MRD-CI wavefunctions." @default.
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- W2071769308 date "1991-07-01" @default.
- W2071769308 modified "2023-09-25" @default.
- W2071769308 title "Potential curves and predissociation rates for the heavy species HBr2+ and DBr2+" @default.
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- W2071769308 doi "https://doi.org/10.1016/0301-0104(91)80071-o" @default.
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