Controlling the localisation of d- and f- electrons using DFT plus U with occupation matrices

被引：0
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作者：
Allen, Jeremy P.
Watson, Graeme W.
机构：
[1] Univ Dublin Trinity Coll, Sch Chem, Dublin 2, County Dublin, Ireland
[2] Univ Dublin Trinity Coll, CRANN, Dublin 2, County Dublin, Ireland
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2013年 / 246卷
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D O I：
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
74-COMP
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页数：1
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