标题
Analytical gradients for excitation energies from frozen-density embedding
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 31, Pages 20955-20975
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-03-21
DOI
10.1039/c6cp00392c
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。- Frozen-Density Embedding Strategy for Multilevel Simulations of Electronic Structure
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- Time-dependent density functional theory gradients in the Amsterdam density functional package: geometry optimizations of spin-flip excitations
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- Excited state geometry optimizations by time-dependent density functional theory based on the fragment molecular orbital method
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