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Excitation and ionization in H(1s)-H(1s) collisions: II. Inclusion of electron exchange

Riley, Merle E.; Ritchie, A.B.

Hydrogen atom-hydrogen atom scattering is a prototype for many of the fundamental principles of atomic collisions. In this work we present the formalism and the predictions of a time-dependent self-consistent-field description of the H + H system for scattering in the intermediate energy regime of 1-100 keV. Because of the unrestricted nature of the numerical orbital description, this method includes the effects of an unlimited basis set within each orbital. Electron exchange and a limited amount of electron correlation are included as well. We solve numerically coupled three-dimensional Schrodinger equations for the two-electron orbitals in singlet and triplet symmetries. Excitation and ionization cross sections are computed and compared with other theory and experiment. The results capture many features of the problem but illustrate a need for more quantitative experimental information concerning the H + H system in this energy range.