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YU Jun-hua, ZHAO Wei-jiang, SU Li-ping
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Abstract: Using discrete variation method(DVM) program, we calculated the electron structure of Cr3+ doping center in the la ser crystal of LiSrAlF6 and studied the effect of inlay potential, cluster size and basis set type on the calculated result. The present paper presents the fundamental cond itions to make the calculated result convergent.
Key words: electron structure, discrete variation method, inlay po tential
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YU Jun-hua, ZHAO Wei-jiang, SU Li-ping. Calculation of Electron Structure of Cr3+Doping Center in LiSrAlF6 Crystal[J].J4, 2002, 40(02): 186-189.
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http://xuebao.jlu.edu.cn/lxb/EN/Y2002/V40/I02/186
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