Challenges in density-functional theory.

被引:0
|
作者
Becke, AD [1 ]
机构
[1] Queens Univ, Kingston, ON K7L 3N6, Canada
关键词
D O I
暂无
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
391-PHYS
引用
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页码:U384 / U384
页数:1
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