caa a22 4500 445865504 CHVBK 20180317145456.0 cr unu---uuuuu 170323e20111001xx s 000 0 eng 10.1140/epjd/e2011-20276-y doi (NATIONALLICENCE)springer-10.1140/epjd/e2011-20276-y Spin-orbit effects in the ground X2Π state and two low-lying excited valence states B2Π and L′2Φ for NO [Elektronische Daten] [Y. Gao, M. Wan, X. Wu, X. Zeng, T. Gao] The potential energy curves and spectroscopic constants B e , ω e , ω e χ e , α e , D e of the six Ω states (X 2Π1/2, 3/2, B 2Π1/2, 3/2 and L ′2Φ5/2,7/2) of the NO radical molecule were calculated using spin-orbit multi-configuration quasi-degenerate perturbation theory (SO-MCQDPT). The spin-orbit coupling effect was considered via the state interaction approach with the full Breit-Pauli Hamiltonian. The spin-orbit splitting energy between the X 2Π1/2 and X 2Π3/2 states of the NO radical is 129.61cm-1, which agrees reasonably well with the experimental value of 123.13cm-1. For the B 2Π1/2,3/2 states, the spin-orbit coupling (SOC) splitting energy is 35.99cm-1, the corresponding experimental value is 31.7cm-1. The SOC splitting value of the L ′2Φ5/2,7/2 states was calculated to be 103.2cm-1. The spectroscopic constants R e , ω e , ω e χ e , B e , α e , D e are in reasonable agreement with available experimental and theoretical data for the six Ωstates. EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg, 2011 Gao Y. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut Wan M. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut Wu X. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut Zeng X. School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, 510640, Guangdong, P.R. China aut Gao T. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 249-256 1434-6060 64:2-3<249 2011 64 10053 https://doi.org/10.1140/epjd/e2011-20276-y text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1140/epjd/e2011-20276-y text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Gao Y. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut NATIONALLICENCE 700 1- Wan M. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut NATIONALLICENCE 700 1- Wu X. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut NATIONALLICENCE 700 1- Zeng X. School of Civil Engineering and Transportation, South China University of Technology, Guangzhou, 510640, Guangdong, P.R. China aut NATIONALLICENCE 700 1- Gao T. Institute of Atomic and Molecular Physics, Sichuan University, 610065, Chengdu, P.R. China aut NATIONALLICENCE 773 0- The European Physical Journal D Springer-Verlag 64/2-3(2011-10-01), 249-256 1434-6060 64:2-3<249 2011 64 10053 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer