Radiative charge transfer in ultra-cold collisions of S with Protons
POSTER
Abstract
Molecule formation processes involving second-row elements is of prime interest as searches are ongoing in a variety of interstellar and circumstellar media [1]. We have investigated radiative decay processes at ultra-cold temperatures and above for S colliding with H$^+$. Previously [1], we have investigated this system for radiative association. We use the MOLPRO quantum chemistry suite of codes to obtain accurate potential energies and transition dipole moments as a function of internuclear distance between low-lying states of the SH$^+$ molecular ion complex. A multi-reference configuration-interaction (MRCI) approximation is used to determine all the potential energy curves and transition dipole moments, where the molecular orbitals (MO's) are obtained from state-averaged multiconfiguration-self-consistent-field (MCSCF) calculations. The collision problem is solved using a fully quantum-mechanical approach, an optical potential method, and a semiclassical approximation at higher energies. Rate coefficients are determined for temperatures ranging from micro-Kelvin up to 20,000 K. Further details and a comprehensive set of results will be presented. \\[4pt] [1] P. C. Stancil et al., Astron. Astrophys. Suppl. Ser. 143, 107 (2000).
*The work at UGA was partially supported by NASA grant NNX09AC46G. Computations were performed at the NERSC facilities in Oakland, CA, USA, supported by DOE. GS acknowledges travel support by the International Cooperation and Exchange Foundation of CAEP.