Abstract
THE electronic energy of lithium hydride has been computed by the Hartree–Fock approximation. The computations were carried out both by the linear combination of atomic orbitals approximation according to the molecular orbital method, and by the electron-pair approximation according to Heitler and London with inclusion of ionic terms. When only the two valence electrons were considered, the computed values of the binding energy were as follows:
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Crawford, F. H., and Jorgensen, jun., T., Phys. Rev., 49, 745 (1936).
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FISCHER, I. A Quantum Mechanical Study of Lithium Hydride. Nature 168, 1002 (1951). https://doi.org/10.1038/1681002a0
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DOI: https://doi.org/10.1038/1681002a0
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