Theoretical study of dissociative recombination of Cl{sub 2}{sup +}

Journal Article · Tue Nov 15 00:00:00 EST 2011 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.84.052707· OSTI ID:22093527

Mingwu, Zhang ^[1]; Xiaohong, Cai ^[1]; Larson, Aasa ^[2]; Orel, Ann E. ^[3]

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1. Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000 (China)
2. Department of Physics, Stockholm University, S-106 91 Stockholm (Sweden)
3. Department of Chemical Engineering and Materials Science, University of California at Davis, Davis, California 95616 (United States)

Theoretical studies of low-energy electron collisions with Cl{sub 2}{sup +} leading to direct dissociative recombination are presented. The relevant potential energy curves and autoionization widths are calculated by combining electron scattering calculations using the complex Kohn variational method with multireference configuration interaction structure calculations. The dynamics on the four lowest resonant states of all symmetries is studied by the solution of a driven Schroedinger equation. The thermal rate coefficient for dissociative recombination of Cl{sub 2}{sup +} is calculated and the influence on the thermal rate coefficient from vibrational excited target ions is investigated.

• OSTI ID: 22093527
• Journal Information: Physical Review. A, Vol. 84, Issue 5; Other Information: (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
AUTOIONIZATION
CHLORINE IONS
CONFIGURATION INTERACTION
DIAGRAMS
ELECTRON-ION COLLISIONS
MATHEMATICAL SOLUTIONS
MOLECULAR IONS
POTENTIAL ENERGY
RECOMBINATION
SCATTERING
SCHROEDINGER EQUATION
SYMMETRY
VARIATIONAL METHODS
VIBRATIONAL STATES