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标题: Thirty years of density functional theory in computational chemistry [打印本页]

作者
Author:
yflchx    时间: 2017-6-27 07:34
标题: Thirty years of density functional theory in computational chemistry
Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals


Narbe Mardirossian &  Martin Head-Gordon

MOLECULAR PHYSICS, 2017

http://www.tandfonline.com/doi/full/10.1080/00268976.2017.1333644

论文可以作为泛函选择的参考和依据。

open access,可以随意下载。




作者
Author:
sobereva    时间: 2017-6-27 18:13
真能写
果然是在给他们wB97系列打广告




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