2015/02/25 by G Shen, Guangmao Shen, P C Stancil +9
Chemistry · Earth and Planetary Sciences · Physics and Astronomy · #Atmospheric Ozone and Climate #Atmospheric chemistry and aerosols #Atomic Physics (physics.atom-ph) #FOS: Physical sciences #Quantum Physics (quant-ph) #Solar and Stellar Astrophysics (astro-ph.SR) #Spectroscopy and Laser Applications #astro-ph.SR #physics.atom-ph #quant-ph
paper · pdf · doi:10.48550/arxiv.1502.07239
16 pages, 9 figures, accepted for publication in J Phys B: At. Mol. Opt. Phys
arxiv created 2015/02/25 · openalex publication_date 2015/02/25 · arxiv updated 2015/02/26 · openalex created_date 2016/06/24 · openalex updated_date 2026/07/28
Radiative decay processes at cold and ultra cold temperatures for Sulfur atoms colliding with protons are investigated. The MOLPRO quantum chemistry suite of codes was used to obtain accurate potential energies and transition dipole moments, as a function of internuclear distance, between low-lying states of the SH+ molecular cation. A multi-reference configuration-interaction (MRCI) approximation together with the Davidson correction is used to determine the potential energy curves and transition dipole moments, between the states of interest, where the molecular orbitals (MO's) are obtained from state-averaged multi configuration-self-consistent field (MCSCF) calculations. The collision problem is solved approximately using an optical potential method to obtain radiative loss, and a fully two-channel quantum approach for radiative charge transfer. Cross sections and rate coefficients are determined for the first time for temperatures ranging from 10 μ K up to 10,000 K. Results are obtained for all isotopes of Sulfur, colliding with H+ and D+ ions and comparison is made to a number of other collision systems.