FRANCK-CONDON FACTORS FOR BAND SYSTEMS OF MOLECULAR HYDROGEN .2. (C1PIU-X1SIGMA+/G) D1PIU-X1SIGMA+/G) AND (H3SIGMA+/G-C3PIU) SYSTEMS

Franck-Condon factors are reported for the (C1πu-X1σ+g), (D1πu-X1σ +g) and (h3σ+g-c3πu) band systems of molecular hydrogen. In each electronic state, wavefunctions were computed for all vibrational levels up to the dissociation limit by numerical solutions of the radial Schrödinger equation using a tabulated potential energy function. In the X, C and D states, Rydberg-Klein-Rees (RKR) potential curves were used; in the c and h states Morse potentials were used. The RKR curves were constructed for energies corresponding to integral and non-integral vibrational quanta, using spectroscopic data selected from the literature. These curves were interpolated and extrapolated to prescribed dissociation limits by means of suitable power law potential formulae. The resulting sets of Franck-Condon factors are given for all vibrational bands of each system. © 1969.