Abstract
It is a well known fact that in the restricted Hartree-Fock approximation for the electron gas the density of states at the Fermi level vanishes. It has also been shown that this holds as well in a real metallic system with nuclei. We discuss why this result has serious negative implications for the interpretation of the model and draw attention to the fact that these aspects of the Hartree-Fock approximation ought to be taken into account also in molecular applications.
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© 1987 D. Reidel Publishing Company
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Calais, JL., Delhalle, J. (1987). Hartree-Fock Pathology and Large Molecules. In: Avery, J., Dahl, J.P., Hansen, A.E. (eds) Understanding Molecular Properties. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-3781-9_33
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DOI: https://doi.org/10.1007/978-94-009-3781-9_33
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