The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019)

Cabral B. J. C.

首页> 外文期刊>Chemical Physics Letters >The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019)

【24h】

The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019)

机译：液体HCN状态的Kohn-Maf密度：调整用于预测电子结合能量的远程校正交换相关功能（Vol 724，PG 96,2019）

获取原文

获取原文并翻译 | 示例

获取外文期刊封面封底 >>

开具论文收录证明 >>

文献代查 >>

团队文献服务 >>

页面导航

著录项
相似文献
相关主题

著录项

来源
《Chemical Physics Letters 》 |2019年第2019期| 共1页
作者
Cabral B. J. C.;
展开▼
作者单位

Univ Lisbon Fac Ciencias BioISI Biosyst &

Integrat Sci Inst P-1749016 Lisbon Portugal;

展开▼
收录信息
原文格式 PDF
正文语种 eng
中图分类物理化学（理论化学）、化学物理学 ;
关键词

相似文献

外文文献

1. The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019) [J] . Cabral B. J. C. Chemical Physics Letters . 2019 ,第期

机译：液体HCN状态的Kohn-Maf密度：调整用于预测电子结合能量的远程校正交换相关功能（Vol 724，PG 96,2019）
2. Functional dependence of excitation energy for pentacene/C_(60) model complex in the nonempirically tuned long-range corrected density functional theory [J] . Minami T., Ito S., Nakano M. International Journal of Quantum Chemistry . 2013 ,第3a4期

机译：并五苯/ C_（60）模型配合物的激发能的函数依赖性在非经验调谐远程校正密度泛函理论中
3. Accurate density functional prediction of molecular electron affinity with the scaling corrected Kohn-Sham frontier orbital energies [J] . Zhang DaDi, Yang Xiaolong, Zheng Xiao, Molecular physics . 2018 ,第7a8期

机译：具有缩放校正Kohn-Shambital轨道能量的分子电子亲和力的精确密度泛函。
4. Nonempirically-Tuned Density Functional Theory Approaches for Accurately Predicting Electron Affinities and Halogen-Bonding Interactions [D] . Anderson, Lindsey. 2017

机译：精确预测电子亲和力和卤素键相互作用的非调光密度泛函理论方法
5. Asymptotic Behavior of the Exchange-Correlation Energy Density and the Kohn-Sham Potential in Density Functional Theory: Exact Results and Strategy for Approximations [O] . Eli Kraisler 2019

机译：密度函数理论中交换相关能量密度和Kohn-Sham潜力的渐近行为：近似的精确结果和策略

The Kohn-Sham density of states of liquid HCN: Tuning a long-range corrected exchange-correlation functional for predicting electron binding energies (vol 724, pg 96, 2019)

著录项

相似文献

相关主题

期刊订阅