关注
Ruoqi Zhao
Ruoqi Zhao
Shenzhen Bay Laboratory
在 mails.jlu.edu.cn 的电子邮件经过验证
标题
引用次数
引用次数
年份
Generalization of block-localized wave function for constrained optimization of excited determinants
A Grofe, R Zhao, A Wildman, TF Stetina, X Li, P Bao, J Gao
Journal of Chemical Theory and Computation 17 (1), 277-289, 2020
212020
Dynamic-then-static approach for core excitations of open-shell molecules
R Zhao, A Grofe, Z Wang, P Bao, X Chen, W Liu, J Gao
The Journal of Physical Chemistry Letters 12 (31), 7409-7417, 2021
192021
Minimal-active-space multistate density functional theory for excitation energy involving local and charge transfer states
R Zhao, CP Hettich, X Chen, J Gao
npj computational materials 7 (1), 148, 2021
132021
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory
Y Lu, R Zhao, J Zhang, M Liu, J Gao
Journal of Chemical Theory and Computation 18 (11), 6407-6420, 2022
82022
Excimer energies
R Zhao, C Hettich, J Zhang, M Liu, J Gao
The Journal of Physical Chemistry Letters 14 (12), 2917-2926, 2023
72023
Origin of thiocyanate spectral shifts in water and organic solvents
R Zhao, JC Shirley, E Lee, A Grofe, H Li, CR Baiz, J Gao
The Journal of Chemical Physics 156 (10), 2022
52022
Cryo-EM structures of LHCII in photo-active and photo-protecting states reveal allosteric regulation of light harvesting and excess energy dissipation
M Ruan, H Li, Y Zhang, R Zhao, J Zhang, Y Wang, J Gao, Z Wang, ...
Nature plants 9 (9), 1547-1557, 2023
42023
Target State Optimized Density Functional Theory for Electronic Excited and Diabatic States
J Zhang, Z Tang, X Zhang, H Zhu, R Zhao, Y Lu, J Gao
Journal of Chemical Theory and Computation 19 (6), 1777-1789, 2023
32023
Multistate energy decomposition analysis of molecular excited states
CP Hettich, X Zhang, D Kemper, R Zhao, S Zhou, Y Lu, J Gao, J Zhang, ...
Jacs Au 3 (7), 1800-1819, 2023
22023
Leveling the Mountain Range of Excited-State Benchmarking through Multistate Density Functional Theory
H Zhu, R Zhao, Y Lu, M Liu, J Zhang, J Gao
The Journal of Physical Chemistry A 127 (40), 8473-8485, 2023
12023
Minimal Active Space for Diradicals Using Multistate Density Functional Theory
J Han, R Zhao, Y Guo, Z Qu, J Gao
Molecules 27 (11), 3466, 2022
12022
系统目前无法执行此操作,请稍后再试。
文章 1–11