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.

引用

页码：820 / 821

页数：1

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