,Analytical potential energy function for the electronic states 2п1/2 and 2п3/2 of Ox2 (x=+1,-1)

• 作 者: Lü Bing Linghu Rong-Feng Zhou Xun Yang Xiang-Dong Zhu Zheng-He Cheng Xin-Lu
• 机 构: School of Sciences,Guizhou Normal University,Guiyang 550001,China“,”Institute of Atomic and Molecula
• 出 处: 中国物理B（英文版）
• 发表日期: 2008年5期
• 关键词: Ox2 (x = +1 - 1) molecular structure and potential function Murrell-Sorbie funct

The splitting of potential energy levels for ground state X2пg of Ox2 (x = +1,-1) under spin-orbit coupling(SOC) has been calculated by using the spin-orbit (SO) multi-configuration quasi-degenerate perturbation theory (SO-MCQDPT).Their Murrell Sorbic (M-S) potential functions are gained,and then the spectroscopic constants for electronic states 2п1/2 and 2п3/2 are derived from the M-S function.The vertical excitation energies for Ox2 (x=+1,-1) are v[O2+1(2п3/2 → X2п1/2)]=195.652cm-1,and v[O2-1(2п1/2 → X2п3/2)] =-182.568cm-1,respectively.All the spectroscopic data for electronic states 2п1/2 and 2п3/2 are given for the first time.