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A study of the electronic structure of molecules by a self-consistent discrete variation Xα-method in a basis of numerical hartree-fock functions

I. General description of the procedure

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N. S. Kurnakov Institute of General and Inorganic Chemistry, Academy of Sciences of the USSR. Translated from Zhurnal Strukturnoi Khimii, Vol. 19, No. 6, pp. 976–981, November–December, 1978.

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Gutsev, G.L., Levin, A.A. A study of the electronic structure of molecules by a self-consistent discrete variation Xα-method in a basis of numerical hartree-fock functions. J Struct Chem 19, 838–842 (1979). https://doi.org/10.1007/BF00753754

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  • DOI: https://doi.org/10.1007/BF00753754

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