Theoretical study of potential energy curves, spectroscopic constants, and radiative lifetimes of low-lying states in SeO molecule

doi:10.1088/1674-1056/21/12/123102

Abstract The low-lying potential energy curves of SeO molecule are computed by means of ab initio multireference configuration interaction technique, taking into account relativistic (scalar plus spin-orbit coupling) effects. The spectroscopic constants of Ω states for X³Σ^-, a¹Δ, b¹Σ⁺, A³Π, A'³Δ, and A"³Σ⁺ states are obtained, and they are in good accordance with available experimental values. The Franck-Condon factors and transition dipole moments to the ground state are computed, and the natural radiative lifetimes of low-lying Ω states are theoretically obtained. Comparisons of the natural lifetimes of Ω states with previous experimental results and those of isovalent TeO molecule are made.

Keywords: potential energy curves spin-orbit coupling lifetime SeO molecule

Received: 03 April 2012
Revised: 20 June 2012
Accepted manuscript online:

PACS:	31.50.Df	(Potential energy surfaces for excited electronic states)
	31.15.aj	(Relativistic corrections, spin-orbit effects, fine structure; hyperfine structure)
	31.15.ag	(Excitation energies and lifetimes; oscillator strengths)

Fund: Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003), the Fundamental Research Funds for the Central Universities, China (Grant Nos. 200903369 and 201103255), the Natural Science Foundation of Heilongjiang Province, China (Grant No. QC2011C092), and the Program for Young Teacher's Scientific Research in Qiqihar University, China (Grant Nos. 2010K-Z05 and 2010K-M31).

Corresponding Authors: Yan Bing
E-mail: yanbing@jlu.edu.cn

Cite this article:

Li Rui (李瑞), Lian Ke-Yan (连科研), Li Qi-Nan (李奇楠), Miao Feng-Juan (苗凤娟), Yan Bing (闫冰), Jin Ming-Xing (金明星) Theoretical study of potential energy curves, spectroscopic constants, and radiative lifetimes of low-lying states in SeO molecule 2012 Chin. Phys. B 21 123102

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Theoretical study of potential energy curves, spectroscopic constants, and radiative lifetimes of low-lying states in SeO molecule

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