欢迎您!
东篱公司
退出
申报数据库
申报指南
立项数据库
成果数据库
期刊论文
会议论文
著 作
专 利
项目获奖数据库
位置:
成果数据库
>
期刊
> 期刊详情页
Analytical derivative techniques for TDDFTexcited-state properties: Theory and application
ISSN号:1674-7291
期刊名称:Science China Chemistry
时间:2014.1.1
页码:48-57
相关项目:分子聚集体构效关系及激子动力学的理论研究
作者:
Danping Chen|Jie Liu|Huili Ma|Qiao Zeng|WanZhen Liang|
同期刊论文项目
分子聚集体构效关系及激子动力学的理论研究
期刊论文 14
同项目期刊论文
Plasmon Resonance of Isolated Gold Hollow Nanoparticles and Nanoparticle Pairs: Insights from Electr
Vibronic Spectra of Perylene Bisimide Oligomers: Effects of Intermolecular Charge-Transfer Excitatio
Analytical Hessian of electronic excited states in time-dependent density functional theory with Tam
Molecular-orbital-free algorithm for the excited-state force in time-dependent density functional th
How does the nonlocal HF exchange influence the electron excitation of Bacteriochlorophyll and its a
Time-Dependent Approach to Resonance Raman Spectra Including Duschinsky Rotation and Herzberg-Teller
Computational Insight on the Working Principles of Zinc Porphyrin Dye-Sensitized Solar Cells
Theoretical Insights into Intermolecular Hydrogen-Bonding Strengthening in Fluorenone-Methanol Compl
Molecular properties of excited electronic state: Formalism, implementation, and applications of ana
Analytical second derivatives of excited-state energy within the time-dependent density functional t
A simplified approach for the coupling of excitation energy transfer