Fixing Jacob's ladder

被引：0
|
作者：
Roberto Car
机构：
[1] Princeton University,Roberto Car is in the Department of Chemistry
[2] Princeton,undefined
[3] New Jersey 08544,undefined
[4] USA,undefined
来源：
Nature Chemistry | 2016年 / 8卷 / 9期
关键词：
D O I：
10.1038/nchem.2605
中图分类号：
学科分类号：
摘要：
Density functional theory calculations can be carried out with different levels of accuracy, forming a hierarchy that is often represented by the rungs of a ladder. Now a new method has been developed that significantly improves the accuracy of the 'third rung' when calculating the properties of diversely bonded systems.
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收藏
页码：820 / 821
页数：1
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