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- W1993750950 abstract "The ground state and low-lying states of MgH2+ are studied at the complete-active-space self-consistent-field and multireference configuration-interaction levels of theory. The binding energies of the 2B1 and 2B2 states (relative to their asymptote) are significantly larger than that of the 2A1 ground state. The Mg+ inserts into the H2 bond for the 2B2 state. The (2)2A1 state is very weakly bound, because the MgH2 repulsion is larger than in the ground state." @default.
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- W1993750950 date "1993-01-01" @default.
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- W1993750950 title "The ground and low-lying excited states of MgH2+" @default.
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- W1993750950 doi "https://doi.org/10.1016/0009-2614(93)85025-j" @default.
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