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A generic procedure for determining atomic LS spectral terms and their LS eigenfunctions

A generic procedure for determining atomic LS spectral terms and their LS eigenfunctions
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摘要 This paper develops a Fortran code which is capable to construct the simplest LS eigenfunctions for desired symmetry and determine all permitted atomic LS spectral terms under a given orbital occupancy by implementing and extending the Schaefer and Harris method. Examples (in some cases the most complete set to date) of multiple spectroscopic terms of LS coupling of atomic states for both non-equivalent and equivalent electronic configurations are given. It also corrects a few observed errors from the recent literature. This paper develops a Fortran code which is capable to construct the simplest LS eigenfunctions for desired symmetry and determine all permitted atomic LS spectral terms under a given orbital occupancy by implementing and extending the Schaefer and Harris method. Examples (in some cases the most complete set to date) of multiple spectroscopic terms of LS coupling of atomic states for both non-equivalent and equivalent electronic configurations are given. It also corrects a few observed errors from the recent literature.
出处 《Chinese Physics B》 SCIE EI CAS CSCD 2009年第2期542-548,共7页 中国物理B(英文版)
基金 partially supported by the National High Technology Research and Development Program of China (Grant No2004AA306H10) the program 04EP111/ENTEP-2004 of the operational program ‘Competitiveness’ of the Greek General Secre-tariat of Research and Technology and the program ‘Excellence in the Research Institutes supervised by the General Secretariat for Research and Technology / Ministry of Development’, Greece
关键词 LS coupling multiples spectroscopic term LS coupling, multiples spectroscopic term
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  • 1Bacalis N C 2000 J. Phys. B 33 1415.
  • 2Pilar F L 1969 Elementary Quantum Chemistry (New York: McGraw-Hill).
  • 3Xiong Z, Velgakis M I and Bacalis N C 2005 Int. J. Quantum Chem. 104 418.
  • 4Xiong Z and Bacalis N C 2005 Math. Commun. Math.Comput. Chem. 53 283.
  • 5Xiong Z and Bacalis N C 2003 Proceedings of the International Conference of Computational Methods in Sciences and Engineering (ICCMSE 2003) (Singapore: World Scientific) p687.
  • 6Froese Fischer C 1973 Can. J, Phys. 51 1238.
  • 7Eckart C E 1930 Phys. Rev. 36 878.
  • 8Schaffer H F and Harris F E 1968 J. Comput, Phys, 3 217.
  • 9Froese Fischer C 1997 Computational Atomic Structure(Bristol: Institute of Physics Publishing).
  • 10Acced Y, Pekeris C L and Schiff B 1971 Phys, Rev. A 4 516.

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