Comparison of Hartree-Fock and Kohn-Sham
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Bou?, Petr
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Article
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2000
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John Wiley and Sons
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English
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## Kohn-Sham (KS) and Hartree-Fock (HF) determinants were used as the true many-body wave functions for calculations of molecular energies, vibrational frequencies, and excited electronic states. The results justified common practice, encountered in the sum over states theories, in which these two