Use of the virial theorem to calculate the molecular force constants of diatomic hydrides |
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Authors: | V. V. Rossikhin V. P. Morozov L. I. Bezzub |
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Affiliation: | (1) Dnepropetrovsk Chemical Engineering Institute, Russia |
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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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