Quantum-mechanical calculations of charge transfer in collisions of O 3 + with He

2009 
Charge transfer due to collisions of ground-state ${\text{O}}^{3+}(2{s}^{2}2p\text{ }^{2}P)$ ions with He is investigated using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method. The ab initio adiabatic potentials and radial couplings utilized in the QMOCC calculations are obtained from the multireference single- and double-excitation configuration interaction approach. State-selective and total charge-transfer cross sections are calculated for collision energies from 0.01 eV/u to 1 keV/u. Comparison with existing data reveals that the present QMOCC calculations are in good harmony with the measured total single-electron charge-transfer cross sections. Excellent agreement with the available experimental data is also found for state-selective cross sections at the measured energy region.
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