Thirty years of density functional theory in computational chemistry

yflchx · 发表于 Post on 2017-6-27 07:34:56

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。

sobereva · 发表于 Post on 2017-6-27 18:13:27

真能写
果然是在给他们wB97系列打广告

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