Theoretical treatment of electron-capture processes in ion-molecule collisions: B3++H-2 as a test case

Ab initio potential-energy curves and coupling matrix elements of the molec ular states involved in the collision of the B3+(S-1) multicharged ion on m olecular hydrogen have been determined by means of configuration-interactio n methods. The total and partial electron-capture cross sections have been evaluated in the frame of a semiclassical approach in the 10-170-keV labora tory energy range. Anisotropy and vibrational dependence have been examined , at both the molecular calculation and collision dynamics levels. [S1050-2 947(99)06705-0].