Quantum-mechanical calculations of vibrationally resolved cross sections for non-dissociative charge transfer of O3+ with H2

Abstract

Charge transfer due to collisions of ground state O3+(2s22p 2P) ions with molecular hydrogen is investigated using the quantum-mechanical molecular-orbital close-coupling (MOCC) method，and electronic and vibrational state-selective cross sections along with the corresponding differential cross sections are calculated for projectile energies of 100，500，1000 and 5000eV/u at the orientation angles of 25°，45° and 89°. The adiabatic potentials and radial coupling matrix elements utilized in the QMOCC calculations were obtained with the spin-coupled valence-bond approach. The infinite order sudden approximation (IOSA) and the vibrational sudden approximation (VSA) are utilized to deal with the rotation of H2 and the coupling between the electron and the vibration of H2. It is found that the distribution of vibrationally resolved cross sections with the vibrational quantum number v′ of H+2(v′) varies with the increment of the projectile energy; and the electronic and vibrational state-selective differential cross sections show similar behaviors: there is a highest platform within a very small scattering angle，beyond which the differential cross sections decrease as the scattering angle increases and lots of oscillating structures appear，where the scattering angle of the first structure decreases as E-1/2p with the increment of the projectile energy Ep; and the structure and amplitude of the differential cross sections are sensitive to the orientation of molecule H2，which provides a possibility to identify the orientations of molecule H2 by the vibrational state-selective differential scattering processes.