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

被引:20
作者
Antipov, Sergey V. [1 ]
Gustafsson, Magnus [1 ]
Nyman, Gunnar [1 ]
机构
[1] Univ Gothenburg, Dept Chem, SE-41296 Gothenburg, Sweden
基金
瑞典研究理事会;
关键词
association; excited states; photochemistry; reaction rate constants; rotational states; spin-orbit interactions; DIATOMIC-MOLECULES; SCATTERING-THEORY; CROSS-SECTIONS; PHOTODISSOCIATION; CN; LI;
D O I
10.1063/1.3562125
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
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]
引用
收藏
页数:11
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