Spin-orbit and rotational couplings in radiative association of C({sup 3}P) and N({sup 4}S) atoms

Journal Article · Mon Nov 14 00:00:00 EST 2011 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3562125· OSTI ID:22038768

Antipov, Sergey V; Gustafsson, Magnus; Nyman, Gunnar ^[1]

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1. Department of Chemistry, University of Gothenburg, SE-412 96 Gothenburg (Sweden)

The role of spin-orbit and rotational couplings in radiative association of C({sup 3}P) and N({sup 4}S) atoms is investigated. Couplings among doublet electronic states of the CN radical are considered, giving rise to a 6-state model of the process. The solution of the dynamical problem is based on the L{sup 2} method, where a complex absorbing potential is added to the Hamiltonian operator in order to treat continuum and bound levels in the same manner. Comparison of the energy-dependent rate coefficients calculated with and without spin-orbit and rotational couplings shows that the couplings have a strong effect on the resonance structure and low-energy baseline of the rate coefficient.

• OSTI ID: 22038768
• Journal Information: Journal of Chemical Physics, Vol. 135, Issue 18; Other Information: (c) 2011 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ATOMS
COUPLINGS
ENERGY DEPENDENCE
HAMILTONIANS
L-S COUPLING
REACTION KINETICS
ROTATIONAL STATES
SPIN