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Ab initio study of collisions between Li + or H + ions and H 2 (D 2 , DT, T 2 ) molecules

2000; IOP Publishing; Volume: 33; Issue: 11 Linguagem: Inglês

10.1088/0953-4075/33/11/305

1361-6455

D Elizaga, L. F. Errea, Jimena D. Gorfinkiel, L. Méndez, A. Macı́as, D Elizaga, L. F. Errea, Jimena D. Gorfinkiel, L. Méndez, A Riera, Antonio Manuel Rojas González,

X-ray Spectroscopy and Fluorescence Analysis

We evaluate single-capture cross sections in collisions of H+ or Li+ ions with H2 (D2, DT, T2) molecules in a range of impact energies of 50 eV amu-1-6.25 keV amu-1. We present the first theoretical treatment for Li+ projectiles, we extend the energy range of previous treatments for H+ and we test the accuracy of simplified approaches, such as the Franck-Condon approximation and a new angle-averaging procedure. For H+ + H2, a significant enhancement of the capture cross section is predicted when the H2 target is initially in its first excited vibrational state.