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Minimization of the total energy in the PPP method with allowance for the dependence of the parameters on the bond order matrix elements

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Translated from Teoreticheskaya i Éksperimental'naya Khimiya, Vol. 7, No. 1, pp. 88–91, January–February, 1971.

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Bagatur'yants, A.A. Minimization of the total energy in the PPP method with allowance for the dependence of the parameters on the bond order matrix elements. Theor Exp Chem 7, 73–75 (1973). https://doi.org/10.1007/BF00527598

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  • DOI: https://doi.org/10.1007/BF00527598

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