CHINESE JOURNAL OF COMPUTATIONAL PHYSICS ›› 2010, Vol. 27 ›› Issue (2): 299-303.

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LS Coupling and Concise Eigenfunctions of Atomic States:Schaefer and Harris' Method

DAI Lili, XIONG Zhuang, CHEN Congyan   

  1. AMS Research Center, Southeast University, Nanjing 210096, China
  • Received:2008-10-10 Revised:2009-02-20 Online:2010-03-25 Published:2010-03-25

Abstract: With Schaefer and Harris method, i.e., constructing LS eigenfunctions by diagonlization of L2+λS2, a FORTRAN code with two modes is developed to calculate the most concise LS eigenfunctions under certain symmetry and all LS coupling atomic states (both non-equivalent and equivalent electronic configurations) with given orbital occupancy. As an example, LS coupling atomic states and the simplest LS eigenfunctions for 6I symmetry of Np (Z=93) 5f46d electronic occupancy are calculated.

Key words: electronic configurations, slater derterninants, LS coupling of atomic states, eigenfuntions

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