Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital method
出版年份 2016 全文链接
标题
Analytic second derivative of the energy for density-functional tight-binding combined with the fragment molecular orbital method
作者
关键词
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出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 145, Issue 4, Pages 044113
出版商
AIP Publishing
发表日期
2016-08-02
DOI
10.1063/1.4959231
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