Computing Frank-Condon Factors Of N₂ Molecule

Frank-Condon factors represent coupling degree between two energy levels in a molecule; the factors are related with structure of the molecule and transition between molecular levels, so they are very important parameters in the atomic and molecular physics. Frank-Condon factors and enginevalues of pure vibrational and vibration-rotational levels of N2 molecule have been computed by both difference method and spherical Bessel function expanding method in this dissertation, using Morse function as model potential function. The result computed by difference method was compared with result computed by spherical Bessel function method. The result computed by difference method is well consistent with the result computed by Bessel function expanding method, which shows that both methods can be used in diatomic molecule problems. The spectral item parameters was obtained from the computed results, they are compared with experimental values. The computed results are well consistent with experimental values. The study shows that difference method has advantage of simpleness over spherical Bessel expanding method and the method is more suitable for computing diatomic molecular computing.The Gauss function expanding method to compute diatomic molecule has been proposed in the dissertation.