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LS Coupling and Concise Eigenfunctions of Atomic States:Schaefer and Harris' Method
DAI Lili, XIONG Zhuang, CHEN Congyan
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS
2010, 27 (2):
299-303.
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.
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