APPLICATION OF A DIATOMIC MOLECULE MODEL POTENTIAL TO HOMO- AND HETERODIATOMIC MOLECULES
We apply a one-dimensional classical model of a diatomic molecule with modifications to H2, HF, LiF, N2, and CO. We obtain the unknown parameters of this model by digitizing the plots of potential from published theoretical electron correlation calculations due to Piris. We then apply the method of successive approximations to the model potential in order to obtain the wavenumber for each molecule. The wavenumber depends on a parameter which in turn depends on the initial conditions. The value of this parameter for each individual molecule gives zero percent error for the corresponding molecule's wavenumber but an average is used in the final calculation of all molecules' wavenumbers. The resulting wavenumbers are all within seven precent of the experimental values.
Funding support provided by the Georgia Space Grant Consortium, a NASA Training Grant NNH18ZHA007C.
Carpenter*, Dorien E.; Hasbun, Javier E.; and DeSilva, L. Ajith
"APPLICATION OF A DIATOMIC MOLECULE MODEL POTENTIAL TO HOMO- AND HETERODIATOMIC MOLECULES,"
Georgia Journal of Science, Vol. 81, No. 1, Article 95.
Available at: https://digitalcommons.gaacademy.org/gjs/vol81/iss1/95