|
已选(0)清除
条数/页： 排序方式：
|
| Critical Assessment of TD-DFT for Excited States of Open-Shell Systems: I. Doublet-Doublet Transitions 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Li, Zhendong; Liu, Wenjian
  收藏 | 浏览/下载：5/0 | 提交时间：2017/12/03
|
| Critical Assessment of Time-Dependent Density Functional Theory for Excited States of Open-Shell Systems: II. Doublet-Quartet Transitions 期刊论文
JOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2016
Li, Zhendong; Liu, Wenjian
收藏 | 浏览/下载：6/0 | 提交时间：2017/12/04
|
| Computation of the Kohn-Sham orbital kinetic energy density in the full-potential linearized augmented plane-wave method 期刊论文
physical review b, 2015
Ye, Lin-Hui
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/13
|
| First order nonadiabatic coupling matrix elements between excited states: Implementation and application at the TD-DFT and pp-TDA levels 期刊论文
journal of chemical physics, 2014
Li, Zhendong; Suo, Bingbing; Liu, Wenjian
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/11
|
| New Experimental NMR Shielding Scales Mapped Relativistically from NSR: Theory and Application 期刊论文
journal of chemical theory and computation, 2014
Xiao, Yunlong; Zhang, Yong; Liu, Wenjian
收藏 | 浏览/下载：2/0 | 提交时间：2015/11/11
|
| Photoexcitation of Light-Harvesting C-P-C-60 Triads: A FLMO-TD-DFT Study 期刊论文
journal of chemical theory and computation, 2014
Liu, Junzi; Zhang, Yong; Liu, Wenjian
收藏 | 浏览/下载：2/0 | 提交时间：2015/11/11
|
| FHI-gap: A GW code based on the all-electron augmented plane wave method 期刊论文
计算机物理学通讯, 2013
Jiang, Hong; Gomez-Abal, Ricardo I.; Li, Xin-Zheng; Meisenbichler, Christian; Ambrosch-Draxl, Claudia; Scheffler, Matthias
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/11
|
| Linear-Scaling Time-Dependent Density Functional Theory Based on the Idea of "From Fragments to Molecule" 期刊论文
journal of chemical theory and computation, 2011
Wu, Fangqin; Liu, Wenjian; Zhang, Yong; Li, Zhendong
收藏 | 浏览/下载：3/0 | 提交时间：2015/11/12
|
| Intra- and Interatomic Spin Interactions by the Density Functional Theory plus U Approach: A Critical Assessment 期刊论文
journal of chemical theory and computation, 2011
Zhang, Yachao; Jiang, Hong
收藏 | 浏览/下载：6/0 | 提交时间：2015/11/10
|
| Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory 期刊论文
journal of chemical physics, 2010
Li, Zhendong; Liu, Wenjian
收藏 | 浏览/下载：4/0 | 提交时间：2015/11/12
|
