Inner-shell excitation in heteronuclear collisions. II. Differential and total cross sections for K-shell excitation

For pt.I, see ibid., vol.8, no.11 (1975). The differential and total cross sections for ionization of the K shells of neon and oxygen atoms in close collisions are calculated. The time-dependent electronic wavefunction is expanded in terms of the four lowest diabatic one-electron MO(1s sigma , 2p sigma , 2s sigma and 2p pi ) of the neon-oxygen molecule. These MO are derived from adiabatic Hartree-Fock orbitals. Vacancies are created in the K shell of oxygen, predominantly by the rotational 2p pi -2p sigma coupling at small distances of approach. The ionization of the K shell of neon is due largely to the subsequent transfer of these vacancies into the 1s sigma orbital by the 2p sigma -1s sigma radial coupling. It is shown that coupling to the 2s sigma orbital has little influence of the K-shell cross sections. The calculated total cross sections are compared with existing experimental results.