Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 135, Issue 18, Pages -Publisher
AIP Publishing
DOI: 10.1063/1.3562125
Keywords
association; excited states; photochemistry; reaction rate constants; rotational states; spin-orbit interactions
Funding
- Swedish Research Council
- ASTRONET CATS
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The role of spin-orbit and rotational couplings in radiative association of C(P-3) and N(S-4) 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-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. (C) 2011 American Institute of Physics. [doi:10.1063/1.3562125]
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