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

来源：

JOURNAL OF CHEMICAL PHYSICS | 2011年 / 135卷 / 18期

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

页数：11