Electron-impact study of S{sub 3} using the R-matrix method

Journal Article · Wed Jun 15 04:00:00 EDT 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.83.062707· OSTI ID:21550111

Kaur, Savinder; Bharadvaja, Anand; Baluja, K L ^[1]

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1. Department of Physics and Astrophysics, University of Delhi, Delhi-110007 (India)

We have carried out a comprehensive study of electron impact on the open-chain S{sub 3} isomer by using the R-matrix method. Elastic (integrated and differential), momentum-transfer, excitation, and ionization cross sections, along with effective collision frequency over a wide electron temperature range (500-30 000 K) have been presented. The target states are represented by including correlations via a configuration interaction technique. The results of the static-exchange, correlated 1-state, and 24-state close-coupling approximations are presented. Our study has detected a shape resonance, six core-excited shape resonances, and one Feshbach resonance in the 24-state model. We detect a stable bound state of S{sub 3}{sup -} of {sup 2}B{sub 1} symmetry having a configuration ...11a{sub 1}{sup 2},...3b{sub 1}{sup 2}4b{sub 1},...8b{sub 2}{sup 2},...2a{sub 2}{sup 2}, with a vertical electronic affinity value of 2.15 eV, and a ionization potential value of 9.77 eV, which are in good agreement with the experimental values of 2.093{+-}0.025 and 9.68{+-}0.03 eV, respectively. The ionization cross sections are calculated using the binary-encounter-Bethe model in which Hartree-Fock molecular orbitals at a self-consistent level are used to calculate kinetic and binding energies of the occupied molecular orbitals. We have used partial waves up to l=4 to represent continuum electron in our R-matrix method. A Born top-up procedure is invoked to account for the contribution of partial waves higher than l=4 to obtain converged cross sections.

• OSTI ID: 21550111
• Journal Information: Physical Review. A, Journal Name: Physical Review. A Journal Issue: 6 Vol. 83; ISSN 1050-2947; ISSN PLRAAN
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
AFFINITY
APPROXIMATIONS
BINDING ENERGY
BOUND STATE
CALCULATION METHODS
COLLISIONS
CONFIGURATION INTERACTION
CROSS SECTIONS
ELECTRON TEMPERATURE
ELECTRONS
ELEMENTARY PARTICLES
ENERGY
ENERGY LEVELS
ENERGY RANGE
ENERGY-LEVEL TRANSITIONS
EV RANGE
EXCITATION
FERMIONS
HARTREE-FOCK METHOD
IONIZATION
IONIZATION POTENTIAL
ISOMERS
LEPTONS
MATRICES
MOMENTUM TRANSFER
PARTIAL WAVES
R MATRIX
RESONANCE
S STATES
SYMMETRY