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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.
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Keywords:
- AuO /
- rotational constant Hv /
- P-branch /
- multiple finite difference method
[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 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 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 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 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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[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 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 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 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 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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