用预言振转跃迁谱线的新公式研究AuO分子电子跃迁P支的高激发态发射谱线

江永红; 孙卫国; 张燚; 付佳; 樊群超; 李会东; 冯灏

doi:10.7498/aps.62.213301

摘要

本文在孙卫国等建立的预测双原子分子高转动激发态的振转跃迁能谱的解析物理公式的基础上, 增加了该公式推导时被省略的高阶转动项Hv对能级的贡献, 获得了包含此高阶小项的预测双核体系高转动激发态的振转跃迁谱线的新表达式. 使用该新公式对AuO分子P支发射跃迁光谱的研究表明: 加入高阶转动常数Hv后的新公式所预言的振转跃迁谱线的精度比不包含Hv 的公式给出的结果提高了约一个数量级. 因此, 更加有力地表明了使用多重差分法建立的这类物理公式在预言实验未给出的物理数据方面的正确性和有效性.

关键词:

Abstract

An analytical formula has been proposed to predict the high-lying spectral lines of rovibrational transitions for diatomic systems by Sun et al. who used multiple spectral difference method. This study improves the formula based on their previous work by adding a higher order spectral term Hv. Applications of this new formula to the AuO molecule shows that the accuracy of the P-branch rovibrational transition lines is about one order of magnitude better than the results obtained using the previous formula, and that the contributions of the small quantity Hv to the high-lying rovibrational energies and the transitional lines are shown to be important.

Keywords:

作者及机构信息

1.
四川大学原子与分子物理研究所, 成都 610065;

2.
西华大学物理与化学学院, 先进计算研究中心, 成都 610039;

3.
四川大学物理学院, 成都 610065

基金项目: 国家自然科学基金(批准号: 11074204, 11174236, 11204244)和教育部基金(20100181110085)资助的课题.

Authors and contacts

1.
Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China;

2.
School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Chengdu 610039, China;

3.
School of Physics, Sichuan University, Chengdu 610065, China

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 11074204, 11174236, 11204244), and the Science Foundation of the Chinese Educational Ministry (Grant No. 20100181110085).

参考文献

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[2]	Huang Y, Qi J, Pechkis H K, Eyler E E, Could P L, Stwalley W C 2006 J. Phys. B: At. Mol. Opt. Phys. 39 S857
[3]	Van Groenendael A, Tudorie M, Focsa C, Pinchemel B, Bernath P F 2005 J. Mol. Spectros 234 255
[4]	Li H, Focsa C, Pinchemel B, Le Roy R J, Bernath P F 2000 J. Chem. Phys 113 3026
[5]	Hbner M, Castillo M, Davies P B, Röpcke J 2005 Spectrosc. Acta A 61 57
[6]	Lang F, Winkler K, Strauss C, Grimm R, Denschlag J H 2008 Phys. Rev. Lett. 101 133005
[7]	Chen Y Q, Wu L, Yang X H 2009 Chin. Phys. B 18 2724
[8]	An L Q, Yang X H, Guo Y C, Xu Y M, Xu Z X, Chen Y Q, Liu Y Y 2005 Spectroscopy and Spectral Analysis 25 65 (in Chinese) [安丽琼, 杨晓华, 郭迎春, 徐怡敏, 许朝雄, 陈扬骎, 刘煜炎 2005 光谱学与光谱分析 25 65]
[9]	Fan Q C, Sun W G, Qu S S 2008 Acta Phys. Sin. 57 4110 (in Chinese) [樊群超, 孙卫国, 渠双双 2008 物理学报 57 4110]
[10]	Herzeberg G 1953 Molecular Spectra and Molecular Strecture(I): Spectra of Diatomic Molecules (New York: Van Nostrand Reinhold)
[11]	Pachucki K, Komasa J 2009 J. Chem. Phys. 130 164113
[12]	González-Férezl R, Schmelcher P 2004 Phys. Rev. A 69 023402
[13]	Mizushima M 1975 The Theory of Rotating Diatomic Molecules (University of Colorado)
[14]	Li H D, Sun W G, Fan Q C, Feng H 2011 Spectrosc. Acta A 83 136
[15]	Fu J, Sun W G, Li H D, Fan Q C, Zhang Y, Feng H 2012 Spectrosc. Acta A 91 244
[16]	Li H D, Fan Q C, Feng H, Sun W G 2010 Acta Phys. Sin. 59 4577 (in Chinese) [李会东, 樊群超, 冯灏, 孙卫国 2010 物理学报 59 4577]
[17]	Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 物理学报 60 063301]
[18]	Li H D, Sun W G, Fan Q C, Feng H 2012 Acta Phys. Sin. 61 093301 (in Chinese) [李会东, 孙卫国, 樊群超, 冯灏 2012 物理学报 61 093301]
[19]	Leah C O, Bradley A B, Adam F, Sadasivan S, James J O, Robert W F 2008 J. Mol. Spectros 252 136
[20]	Sadasivan S, Alex S, James J O, Bradley A B, Leah C O 2007 J. Mol. Spectros 243 37
[21]	Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectros 215 93

施引文献

[1]	Sun W G, Fan Q C, Li H D, Feng H 2011 Spectrosc. Acta A 79 35
[2]	Huang Y, Qi J, Pechkis H K, Eyler E E, Could P L, Stwalley W C 2006 J. Phys. B: At. Mol. Opt. Phys. 39 S857
[3]	Van Groenendael A, Tudorie M, Focsa C, Pinchemel B, Bernath P F 2005 J. Mol. Spectros 234 255
[4]	Li H, Focsa C, Pinchemel B, Le Roy R J, Bernath P F 2000 J. Chem. Phys 113 3026
[5]	Hbner M, Castillo M, Davies P B, Röpcke J 2005 Spectrosc. Acta A 61 57
[6]	Lang F, Winkler K, Strauss C, Grimm R, Denschlag J H 2008 Phys. Rev. Lett. 101 133005
[7]	Chen Y Q, Wu L, Yang X H 2009 Chin. Phys. B 18 2724
[8]	An L Q, Yang X H, Guo Y C, Xu Y M, Xu Z X, Chen Y Q, Liu Y Y 2005 Spectroscopy and Spectral Analysis 25 65 (in Chinese) [安丽琼, 杨晓华, 郭迎春, 徐怡敏, 许朝雄, 陈扬骎, 刘煜炎 2005 光谱学与光谱分析 25 65]
[9]	Fan Q C, Sun W G, Qu S S 2008 Acta Phys. Sin. 57 4110 (in Chinese) [樊群超, 孙卫国, 渠双双 2008 物理学报 57 4110]
[10]	Herzeberg G 1953 Molecular Spectra and Molecular Strecture(I): Spectra of Diatomic Molecules (New York: Van Nostrand Reinhold)
[11]	Pachucki K, Komasa J 2009 J. Chem. Phys. 130 164113
[12]	González-Férezl R, Schmelcher P 2004 Phys. Rev. A 69 023402
[13]	Mizushima M 1975 The Theory of Rotating Diatomic Molecules (University of Colorado)
[14]	Li H D, Sun W G, Fan Q C, Feng H 2011 Spectrosc. Acta A 83 136
[15]	Fu J, Sun W G, Li H D, Fan Q C, Zhang Y, Feng H 2012 Spectrosc. Acta A 91 244
[16]	Li H D, Fan Q C, Feng H, Sun W G 2010 Acta Phys. Sin. 59 4577 (in Chinese) [李会东, 樊群超, 冯灏, 孙卫国 2010 物理学报 59 4577]
[17]	Fan Q C, Sun W G, Li H D, Feng H 2011 Acta Phys. Sin. 60 063301 (in Chinese) [樊群超, 孙卫国, 李会东, 冯灏 2011 物理学报 60 063301]
[18]	Li H D, Sun W G, Fan Q C, Feng H 2012 Acta Phys. Sin. 61 093301 (in Chinese) [李会东, 孙卫国, 樊群超, 冯灏 2012 物理学报 61 093301]
[19]	Leah C O, Bradley A B, Adam F, Sadasivan S, James J O, Robert W F 2008 J. Mol. Spectros 252 136
[20]	Sadasivan S, Alex S, James J O, Bradley A B, Leah C O 2007 J. Mol. Spectros 243 37
[21]	Sun W G, Hou S L, Feng H, Ren W Y 2002 J. Mol. Spectros 215 93

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