NDLI: Spin-orbit effects in the ground X2Π state and two low-lying excited valence states B2Π and L′2Φ for NO

Content Provider	Springer Nature Link
Author	Gao, Y. F. Wan, M. J. Wu, X. G. Zeng, X. W. Gao, T.
Copyright Year	2011
Abstract	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 129.61 cm-1, which agrees reasonably well with the experimental value of 123.13 cm-1. For the B 2Π1/2, 3/2 states, the spin-orbit coupling (SOC) splitting energy is 35.99 cm-1, the corresponding experimental value is 31.7 cm-1. The SOC splitting value of the L ′2Φ5/2, 7/2 states was calculated to be 103.2 cm-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 Ω states.
Starting Page	249
Ending Page	256
Page Count	8
File Format	PDF
ISSN	14346060
Journal	The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics
Volume Number	64
Issue Number	2-3
e-ISSN	14346079
Language	English
Publisher	Springer-Verlag
Publisher Date	2011-10-11
Publisher Place	Berlin, Heidelberg
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Nonlinear Dynamics Spectroscopy/Spectrometry Quantum Physics Quantum Information Technology, Spintronics Atomic, Molecular, Optical and Plasma Physics Physical Chemistry
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics

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