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Li2部分电子态的完全振动能谱与离解能的精确研究

樊群超 孙卫国 李会东 冯灏

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Li2部分电子态的完全振动能谱与离解能的精确研究

樊群超, 孙卫国, 李会东, 冯灏

The full vibrational spectra and dissociation energies of Li2 molecule

Fan Qun-Chao, Sun Wei-Guo, Li Hui-Dong, Feng Hao
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  • 本文将孙卫国等建立的精确计算双原子分子离解能的解析表达式作为分子振动能级正确收敛的重要物理判据,应用代数方法,进一步研究了重要的碱金属Li2的5个电子态的完全振动能谱和离解能,获得了这些电子态的精确振动光谱常数,同时也得到了包括接近分子离解极限在内的完全振动能谱和与实验值符合得很好的理论离解能.这些计算结果为许多需要这些电子态振动数据的研究领域提供了重要的研究数据.
    Based on the algebraic method (AM) proposed to calculate accurate full vibrational energies for diatomic molecules in Sun’s previous work, the parameter-free analytical formula for dissociation energy of diatomic system is used to study the dissociation energies and the full vibrational spectra of 5 electronic states of Li2 molecule in this work. The results show that the AM vibrational spectra and dissociation energies are in excellent agreement with experimental results.
    • 基金项目: 国家自然科学基金(批准号:10774105)、四川省教育厅青年基金(批准号:09ZB083)和西华大学原子与分子物理重点学科基金资助的课题.
    [1]

    Konowalow D D, Fish J L 1983 Chem. Phys. 77 435

    [2]

    Schmidt-Mink I, Müller W, Meyer W 1985 Chem. Phys. 92 263

    [3]

    Poteau R, Spiegelmann F 1995 J. Mol. Spectrosc. 171 299

    [4]

    Linton C, Martin F, Ross A J, Russier I, Crozet P, Yiannopoulou A, Li L, Lyyra A M 1999 J. Mol. Spectrosc. 196 20

    [5]

    Cacciani P, Kokoouline V, Bouloufa N, Masnou-Seeuws F, Vetter R 2003 Phys. Rev. A 68 042506

    [6]

    Peng Q, Lazarov G, Lyyra A M, Jeung G H 2008 J. Mol. Spectrosc. 247 184

    [7]

    Li D, Xie F, Li L, Lazoudis A, Lyyra A M 2007 J. Mol. Spectrosc. 246 180

    [8]

    Coxon J A, Melville T C 2006 J. Mol. Spectrosc. 246 235

    [9]

    Yan T M, Han Y C, Yuan K J, Cong S L 2008 Chem. Phys. 348 39

    [10]

    Russier I, Yiannopoulou A, Crozet P, Ross A J, Martin F, Linton C 1997 J. Mol. Spectrosc. 184 129

    [11]

    Lazarov G, Lyyra A M, Li L 1997 J. Mol. Spectrosc. 205 73

    [12]

    Barakat B, Bacis R, Carrot F, Churassy S, Crozet P, Martin F 1986 J. Chem. Phys. 102 215

    [13]

    Sun W G, Hou S L, Feng H 2002 J. Mol. Spectrosc. 215 93

    [14]

    Sun W G, Ren W Y, Hou S L 2005 Mol. Phys. 103 2335

    [15]

    Sun W G, Liu X Y, Wang Y J, Zhan Y, Fan Q C 2007 Prog. Phys. 27 151 (in Chinese) [孙卫国、刘秀英、王宇杰、詹 妍、樊群超 2007 物理学进展 27 151]

    [16]

    Ren W Y, Sun W G 2005 Acta Phys. Sin. 54 594 (in Chinese) [任维义、孙卫国 2005 物理学报 54 594]

    [17]

    Sun W G, Fan Q C, Ren W Y 2007 Sci. Chin. Ser. G 50 611

    [18]

    Fan Q C, Sun W G 2009 Spectrochi. Acta Part A 72 298

    [19]

    LeRoy R J, Bernstein R B 1970 J. Chem. Phys. 52 3869

    [20]

    LeRoy R J, Bernstein R B 1971 J. Mol. Spectrosc. 37 109

    [21]

    Linton C, Murphy T L, Martin F, Bacis R, Verges J 1989 J. Chem. Phys. 91 6036

    [22]

    Linton C, Martin F, Bacis R, Verges J 1990 J. Mol. Spectrosc. 142 340

    [23]

    Yiannopoulou A, Urbanski K, Lyyra A M, Li L, Ji B, Bahns J T, Stwalley W C 1995 J. Chem. Phys. 102 3024

    [24]

    Russier I, Yiannopoulou A, Crozet P, Ross A J, Martin F, Linton C 1997 J. Mol. Spectrosc. 184 129

    [25]

    Xie X, Field R W 1986 J. Mol. Spectrosc. 117 228

    [26]

    Kaldor U 1990 Chem. Phys. 140 1

  • [1]

    Konowalow D D, Fish J L 1983 Chem. Phys. 77 435

    [2]

    Schmidt-Mink I, Müller W, Meyer W 1985 Chem. Phys. 92 263

    [3]

    Poteau R, Spiegelmann F 1995 J. Mol. Spectrosc. 171 299

    [4]

    Linton C, Martin F, Ross A J, Russier I, Crozet P, Yiannopoulou A, Li L, Lyyra A M 1999 J. Mol. Spectrosc. 196 20

    [5]

    Cacciani P, Kokoouline V, Bouloufa N, Masnou-Seeuws F, Vetter R 2003 Phys. Rev. A 68 042506

    [6]

    Peng Q, Lazarov G, Lyyra A M, Jeung G H 2008 J. Mol. Spectrosc. 247 184

    [7]

    Li D, Xie F, Li L, Lazoudis A, Lyyra A M 2007 J. Mol. Spectrosc. 246 180

    [8]

    Coxon J A, Melville T C 2006 J. Mol. Spectrosc. 246 235

    [9]

    Yan T M, Han Y C, Yuan K J, Cong S L 2008 Chem. Phys. 348 39

    [10]

    Russier I, Yiannopoulou A, Crozet P, Ross A J, Martin F, Linton C 1997 J. Mol. Spectrosc. 184 129

    [11]

    Lazarov G, Lyyra A M, Li L 1997 J. Mol. Spectrosc. 205 73

    [12]

    Barakat B, Bacis R, Carrot F, Churassy S, Crozet P, Martin F 1986 J. Chem. Phys. 102 215

    [13]

    Sun W G, Hou S L, Feng H 2002 J. Mol. Spectrosc. 215 93

    [14]

    Sun W G, Ren W Y, Hou S L 2005 Mol. Phys. 103 2335

    [15]

    Sun W G, Liu X Y, Wang Y J, Zhan Y, Fan Q C 2007 Prog. Phys. 27 151 (in Chinese) [孙卫国、刘秀英、王宇杰、詹 妍、樊群超 2007 物理学进展 27 151]

    [16]

    Ren W Y, Sun W G 2005 Acta Phys. Sin. 54 594 (in Chinese) [任维义、孙卫国 2005 物理学报 54 594]

    [17]

    Sun W G, Fan Q C, Ren W Y 2007 Sci. Chin. Ser. G 50 611

    [18]

    Fan Q C, Sun W G 2009 Spectrochi. Acta Part A 72 298

    [19]

    LeRoy R J, Bernstein R B 1970 J. Chem. Phys. 52 3869

    [20]

    LeRoy R J, Bernstein R B 1971 J. Mol. Spectrosc. 37 109

    [21]

    Linton C, Murphy T L, Martin F, Bacis R, Verges J 1989 J. Chem. Phys. 91 6036

    [22]

    Linton C, Martin F, Bacis R, Verges J 1990 J. Mol. Spectrosc. 142 340

    [23]

    Yiannopoulou A, Urbanski K, Lyyra A M, Li L, Ji B, Bahns J T, Stwalley W C 1995 J. Chem. Phys. 102 3024

    [24]

    Russier I, Yiannopoulou A, Crozet P, Ross A J, Martin F, Linton C 1997 J. Mol. Spectrosc. 184 129

    [25]

    Xie X, Field R W 1986 J. Mol. Spectrosc. 117 228

    [26]

    Kaldor U 1990 Chem. Phys. 140 1

计量
  • 文章访问数:  7216
  • PDF下载量:  672
  • 被引次数: 0
出版历程
  • 收稿日期:  2009-11-23
  • 修回日期:  2010-01-30
  • 刊出日期:  2010-07-15

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