Charge-transfer cross sections for B3+, C4++H collisions

Abstract

Charge-transfer cross sections have been calculated for collisions of B3++H and C4++H in the velocity range of 1-10*107 cm s-1. Ab initio potential energy curves along with their d/dR and Ly coupling matrix are employed in close-coupling calculations utilising straight-line trajectories. The B3++H reaction proceeds primarily via strong radial coupling at R approximately=6.0 a0 between close-lying 2 Sigma molecular states and yields a cross section that increases from 2.5*10-16 cm2 at nu =2*107 cm s-1 to 8.6*10-16 cm2 at 1*108 cm s-1. The C4++H cross section is determined by a series of curve crossings at R approximately=7 a0 between the initial molecular state and the molecular states arising from C3+ (1s23l)+H+. This closely packed group of curve crossings yields a cross section that is essentially constant in velocity with a value of approximately 40*10-16 cm2. Regular oscillatory structure is found superimposed on both sets of calculated cross sections.