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- W2059347975 abstract "The ground and lowest excited state potential curves of the AlH molecule have been calculated in a double-zeta-plus polarization basis set of Gaussian type orbitals. The core electrons of the Al atom are taken into account through a nonempirical pseudopotential. Large scale CI’s are performed according to the CIPSI technique. The calculated transition energies, bond distances, and force constants are in good agreement with experiment for the observed excited states. Three new states with dissociative or long equilibrium distance potential curves have been identified." @default.
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- W2059347975 date "1977-12-15" @default.
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- W2059347975 title "Theoretical calculation of the valence excited states of the AlH molecule" @default.
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- W2059347975 doi "https://doi.org/10.1063/1.434807" @default.
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