A study of the ground states and ionization energies of H2, C2, N2, F2, and CO molecules by the variational cellular method

Luiz M. Brescansin, J. R. Leite, L. G. Ferreira
1979 Journal of Chemical Physics  
Self-consistent calculations for the ground state potential curves and ionization energies are reported for the molecules H 2 • C 2 , N 2 • F 2 • and CO. using the recent proposed variational cellular method. For all these molecules the results are quite good. The calculated binding energies, equilibrium interatomic distances. and energy ionization spectra are in excellent agreement with the available experimental findings.
doi:10.1063/1.438305 fatcat:yelt7tkowradjj6u2l2b6wg6vm