| Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1） |
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| 引用本文： | 吕 兵,令狐荣锋,周 勋,杨向东,朱正和,程新路.Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）[J].中国物理 B,2008,17(5):1738-1742. |
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| 作者姓名： | 吕 兵 令狐荣锋 周 勋 杨向东 朱正和 程新路 |
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| 作者单位： | School of Sciences, Guizhou Normal University,
Guiyang
550001, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China;School of Sciences, Guizhou Normal University,
Guiyang
550001, China;School of Sciences, Guizhou Normal University,
Guiyang
550001, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China |
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| 基金项目： | Project supported by the National
Natural Science Foundation of China (Grant Nos 10574096 and
10676025), the Specialized Research Fund for the Doctoral Program of
Higher Education of China (Grant No 20050610010), and the Scientific
Research Foundation of |
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| 摘 要： | The splitting of potential energy levels for ground state X^2∏g of O^x2 （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-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are vO2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and vO2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.
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| 关 键 词： | 分子结构 势能函数 自旋轨道耦合 电子态 |
| 收稿时间： | 2007-05-31 |
Analytical potential energy function for the electronic states 2П1/2 and 2П3/2 of O2x(x=+1, --1) |
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| Lü Bing,Linghu Rong-Feng,Zhou Xun,Yang Xiang-Dong,Zhu Zheng-He,Cheng Xin-Lu.Analytical potential energy function for the electronic states 2П1/2 and 2П3/2 of O2x(x=+1, --1)[J].Chinese Physics B,2008,17(5):1738-1742. |
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| Authors: | Lü Bing Linghu Rong-Feng Zhou Xun Yang Xiang-Dong Zhu Zheng-He Cheng Xin-Lu |
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| Institution: | Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China; School of Sciences, Guizhou Normal University,
Guiyang
550001, China; School of Sciences, Guizhou Normal University,
Guiyang
550001, China;Institute of Atomic and Molecular Physics, Sichuan
University, Chengdu 610065, China |
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| Abstract: | The splitting of potential energy levels for ground state X2πg of O2x(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--Sorbie (M--S) potential functions
are gained, and then the spectroscopic constants for electronic
states 2π1/2 and 2π3/2 are
derived from the M--S function. The vertical excitation energies for
O2x(x=+1, -1) are \nu O2+1
(2π3/2→ X2π1/2)]=195.652cm-1, and \nu O2-1(2π1/2
→X2π3/2 )]=182.568cm-1, respectively. All
the spectroscopic data for electronic states 2π1/2 and 2π3/2 are given for the first time. |
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| Keywords: | O2x(x=+1 -1) molecular structure and potential function Murrell--Sorbie
function spin--orbit coupling |
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