Communication: Variational many-body expansion: Accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method
出版年份 2012 全文链接
标题
Communication: Variational many-body expansion: Accounting for exchange repulsion, charge delocalization, and dispersion in the fragment-based explicit polarization method
作者
关键词
-
出版物
JOURNAL OF CHEMICAL PHYSICS
Volume 136, Issue 7, Pages 071101
出版商
AIP Publishing
发表日期
2012-02-18
DOI
10.1063/1.3688232
参考文献
相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。- Fragmentation Methods: A Route to Accurate Calculations on Large Systems
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- Explicit Polarization (X-Pol) Potential Using ab Initio Molecular Orbital Theory and Density Functional Theory†
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