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Extended Hartree-Fock crystal orbital schemes in different approximations

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Acta Physica Academiae Scientiarum Hungaricae

Abstract

Ab initio extended Hartree-Fock LCAO crystal orbital schemes are given for three- and one-dimensional solids. The same method is formulated also in the CNDO approximation for molecules and linear chains. Expressions for the total energy of a molecule and of a periodic system are also derived.

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Authors and Affiliations

  1. Physics Department, The City College of the City University of New York, 10031, New York, N. Y., USA

    J. Ladik & F. Martino

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  1. J. Ladik
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  2. F. Martino
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Ladik, J., Martino, F. Extended Hartree-Fock crystal orbital schemes in different approximations. Acta Physica 34, 67–82 (1973). https://doi.org/10.1007/BF03158084

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  • DOI: https://doi.org/10.1007/BF03158084

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