Computing Vibrtional And Vibrational-Rotational Energy Eigenvalues And Frank-Condon Factors Of CO Molecule

Pure vibrational energy levels and vibrational-rotational energy levels of Diatomic molecule have been computed in this dissertation, method of one-dimensional Schr(o|¨)dinger equation has also been studied. The diatomic vibvational-rotational problem is simplified, it is reduced to problem of one-dimensional vibration of a particle about fixed point. The one-dimensional Schr(o|¨)dinger equation which describes vibration and rotation of the particle and boundary conditions has been set up. Pure vibrational and vibrational-rotational energy levels as well as Frank-Condon factors of CO molecule are computed by both finite difference method and spherical Bessel function expansion method respectively, using Morse potential function as potential model function. The result computed by finite difference method has been compared with result computed by spherical Bessel function expansion method. The computed results show that these two methods are convenient and feasible to be used in diatomic molecule vibrational and vibration-rotational energy level computing. The computed results are also satisfactory.