期刊文献+
任意字段
题名或关键词
题名
关键词
文摘
作者
第一作者
机构
刊名
分类号
参考文献
作者简介
基金资助
栏目信息

电多极矩跃迁选择定则的对称分析 被引量：1

The selection rule of electronic multipole transitions derived from symmetry analysis
下载PDF
导出
摘要 只有由群的对称性才可能导出每个不可约表示的对称性波函数,即对称化基函数.也只有由群的对称性才可能导出电子状态跃迁的最一般选择定则,即电偶极跃迁E1,电四极跃迁E2和电八极跃迁E3跃迁的选择原则.本文以C_(2V)和D_(2h)为例,导出电多积(?)迁的选择原则.角动量的选择定则只是特例.并用方法SAC-CI/6-31G计算了H_2O和CC的基态以及其激发态的激发能和振子强度.本文只适合单光子过程.计算都与理论相合. There is an only possibility to derive the symmetrical wave function, i.e. the symmetrized basis function, for each irreducible representation based on the group analysis, and so is for the selection rule for electronic multipole transitions： E1, E2 and E3. The present work devotes to derive the selection rule for electronic multipole transitions for group C2V and D2h. The selection rule derived from angular momentum is one of special cases. It is in agreement with the calculations of H20 and CC molecules by method SAC-CI/6-31G.
作者 朱正和 唐永建
机构地区 四川大学原子分子物理所
出处 《原子与分子物理学报》 CAS CSCD 北大核心 2011年第5期789-794,共6页 Journal of Atomic and Molecular Physics
基金 联合基金(09060)
关键词 群的对称性 电多积跃迁 选择定则 group analysis, electronic multipole transitions, selection rule
分类号 O562.31 [理学—原子与分子物理]
  • 相关文献

参考文献10

  • 1Debye P. Polar molecules[M]. New YorK: Dover Publications, 1929.
  • 2Schank R C. Conceptualization underlying natural language[A].In: Schank R C. Colby K M, editors. Computer Models of Thought and Language[M]. San Francisco: Freeman W H &Co. ,1973
  • 3Schank R C. Conceptual dependency theory [A]. Conceptual Information Processing[M]. Elsevier, 1975 :22-82
  • 4Adam N, Gangopadhyay A. A form-based natural language frontend to a CIM database[J]. IEEE Trans Knowledge Data Engineering, 1997,9(2) :238-250
  • 5Batini C, Lenserini M. Amethodology for data schema integration in the entity relationship model[J]. IEEE Trans Software Engineering, 1984; SE 10(4):650-663
  • 6Tinkham M. Group theory and quantum mechanics [M]. New York: McGraw-Hill, 1964.
  • 7Saue T, Fagri K, Helgaker T, et al. Principles of direct 4-component relativistic SCF: application to caesium auride[J]. Mol. Phys., 1997, 91(5): 937.
  • 8朱正和.原子分子反应静力学[M].北京:科学出版社,2007.
  • 9Cornwell J F. Group theory in physics[M]. London: Academic Press, 1994.
  • 10Nakatsuji H. Computational chemistry-reviews of current trends[M]. Vol. 2. Singapore: World Scientific, 1997.

共引文献5

同被引文献14

  • 1朱凌云,易院平,帅志刚.用耦合簇运动方程计算分子的多光子吸收截面[J].分子科学学报,2005,21(6):1-14. 被引量：3
  • 2朱正和.原子分子反应静力学[M].北京:科学出版社,2007.
  • 3M. D. Wissert, B. Rudat, U. Lemmeret al.. Quantum dots as single-photon sources [J]. Phys. Rev. B, 2011, 83(11): 113304.
  • 4H. Bachau. Theory of two-photon double ionization of helium at the sequential threshold[J]. Phys. Rev. A, 2011, 83 (3) : 033403.
  • 5J. Underwood, C. Witig. Two photon photodissociation of H2O via the B state [J]. Chem. Phys. Lett., 2004, 386(1 3): 190-195.
  • 6A. Kumar, S. Trotsenko, A. V. Volorka et al.. Measurement of the Spectral Shape for Two Photon Decay in He-Like Tin [R], GSI Scientific Report, 2007, 274.
  • 7S. H. Lin, Y. Fujimura, H. J. Neusser et al.. Multiphoton Spectroscopy of Molecules [M]. New York: Academic Press, 1984.7-69.
  • 8J.P.Connerade.高激发原子[M].詹明生,王谨译.北京:科学出版社,2003.323-334.
  • 9T. Saue, H. J. A. Jensen. Linear response at the 4 component relativistic level: application to the frequency-dependent dipole polarizabilitiesof the coinage metal dimmers [J]. J. Chem. Phys., 2003, 118(2):522-536.
  • 10T. Saue, T. Helgaker. Four-component relativistic Kohn-Sham theory[J]. J. Comput. Chem.,2002, 23(8): 814-823.

引证文献1

二级引证文献1

原子与分子物理学报
2011年 第5期

相关作者

内容加载中请稍等...

相关机构

内容加载中请稍等...

相关主题

内容加载中请稍等...

浏览历史

内容加载中请稍等...
;
使用帮助 返回顶部