Abstract
The possibility of using the virial theorem to calculate the coefficients of the potential function for diatomic hydrides on the basis of the Fock-Roothaan wave function in the closed electron shell approximation has been demonstrated in relation to the LiH, BH, CH, NH, and OH molecules.
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Rossikhin, V.V., Morozov, V.P. & Bezzub, L.I. Use of the virial theorem to calculate the molecular force constants of diatomic hydrides. Theor Exp Chem 4, 22–24 (1970). https://doi.org/10.1007/BF00525940
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DOI: https://doi.org/10.1007/BF00525940