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Application Of A Diatomic Molecule Model Potential To A Series Of Homo- And Heterodiatomic Molecules, Dorien E. Carpenter, Javier E. Hasbun

Georgia Journal of Science

We apply a one-dimensional classical model of a diatomic molecule model potential with modifications to H₂, HF, LiF, N₂, and CO. We obtain the unknown parameters of this model by digitizing plots of the potential curves for the molecules from a published, Hartree-Fock based theoretical electron correlation calculation (Piris 2017). We then apply the method of successive approximations to the model in order to calculate the wavenumber for each molecule in the series. The wavenumber depends on a parameter which in turn depends on the initial conditions. The value of this parameter for each individual molecule …