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

• 来源期刊: 中国物理B（英文版）
• 关键词: Ox2 (x = +1 - 1) molecular structure and potential function Murrell-Sorbie function spin-orbit coupling
• 年，卷（期）: 2008,（5）
• 页码范围: 1738-1742
• 页数: 5页
• 语种: 英文

摘要

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.