TRANSITION MOMENTS FOR EXCITATION TO RYDBERG STATES OF MOLECULES USING THE R-MATRIX METHOD - H-2 WITH N-LESS-THAN-OR-EQUAL-TO-5

A method is presented for using scattering calculations performed with the R-matrix method to compute transition dipole moments between deeply bound and diffuse (Rydberg) states of molecules. The method is adapted from Seaton's atomic method. Results are presented for transition, of molecular hydrogen from the ground X 1-SIGMA(g)+ to all the 1-SIGMA(u)+ and 1-PI(u) states with principal quantum number less than or equal to 5 as a function of internuclear separation (1.0 less-than-or-equal-to R less-than-or-equal-to 3.0 a0). Comparisons are made with previous theoretical calculations, which do not extend beyond states with n = 3.