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- W2017338331 abstract "The LCAO MO SCF method, both in the single‐configuration and a limited configuration interaction approximation, has been utilized to evaluate the potential curve of the ground state of H2; wave functions and total molecular energies are presented for a wide range of the internuclear distance (1.0 a.u. ≤R≤18.0 a.u.). These solutions were then used to construct potential curves for the ground states of the molecular ions H2+ and H2— and for the lower‐lying excited states of the neutral molecule. Results of vibration‐rotation analyses for the stable states are presented. The results for a population analysis of the single‐configuration ground‐state function over the whole range of R are given, and compared to similar results for He2." @default.
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- W2017338331 date "1961-12-01" @default.
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- W2017338331 title "Studies in Molecular Structure. VI. Potential Curve for the Interaction of Two Hydrogen Atoms in the LCAO MO SCF Approximation" @default.
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- W2017338331 doi "https://doi.org/10.1063/1.1732194" @default.
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