4.6 Article

DSD-PBEP86: in search of the best double-hybrid DFT with spin-component scaled MP2 and dispersion corrections

期刊

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 13, 期 45, 页码 20104-20107

出版社

ROYAL SOC CHEMISTRY
DOI: 10.1039/c1cp22592h

关键词

-

向作者/读者索取更多资源

Spin-component scaled double hybrids including dispersion correction were optimized for many exchange and correlation functionals. Even DSD-LDA performs surprisingly well. DSD-PBEP86 emerged as a very accurate and robust method, approaching the accuracy of composite ab initio methods at a fraction of their computational cost.

作者

我是这篇论文的作者
点击您的名字以认领此论文并将其添加到您的个人资料中。

评论

主要评分

4.6
评分不足

次要评分

新颖性
-
重要性
-
科学严谨性
-
评价这篇论文

推荐

暂无数据
暂无数据