Theoretical studies of photoionization of hydrogen molecules

Abstract

The intensity and angular distribution of photoelectrons are calculated accurately for hydrogen molecules. The Hagstrom-Shull-type wave function is used for the initial state (i.e., the ground state of ${\mathrm{H}}_2$) and the final continuum wave function for $e+\mathrm{H}_2^{}{}_{}{}^{+}$ is obtained variationally. The two-center nature and the vibrational-rotational motion of the molecule are properly taken into account. The cross section and asymmetry parameter are calculated for each vibrational state of the residual ion. The result is in very good agreement with the recent measurement at 584 Å. The vibrationally unresolved cross section and asymmetry parameter are evaluated and compared with experiment at 736, 650, and 584 Å. Finally, a rather extensive study is made to clarify the effect of the accuracy of the initial- and final-state wave functions on the cross section.