logo
科言猫学术研究的AI总结
language
手机端手机端
  • Phone Feature微信小程序
简体中文简体中文
notice消息通知
博客博客
delete
arrow
返回
J

Junzi Liu

university of science & technology beijing

19H指数
39论文数
3.6K被引数
收录论文 22
发表时间
logo
Unitary Coupled-Cluster Based Self-Consistent Electron Propagator Theory for Electron-Detached and Electron-Attached States: A Quadratic Unitary Coupled-Cluster Singles and Doubles Method and Benchmark Calculations基于酉耦合簇的自洽电子传播子理论用于电子脱离和电子附加态：一种二次酉耦合簇单双方法及基准计算
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-01
err0
PREAI
errZhang, Yu; Liu, Junzi
err分享
err收藏
Benchmark Calculations of Vertical Excitation Energies for Medium-Sized Molecules Using Unitary Coupled-Cluster-Based Polarization Propagator Theory使用酉耦合簇理论为基础的极化传播子理论对中等尺寸分子垂直激发能的基准计算
errThe Journal of Physical Chemistry A
IF0
err2025-07-02
err0
PREAI
errHuan Yu; Yu Zhang; Junzi Liu
err分享
err收藏
Analytic gradients for relativistic exact-two-component equation-of-motion coupled-cluster singles and doubles method
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-28
err5
errOAAI
errZhang, Chaoqun; Zheng, Xuechen; Liu, Junzi; Asthana, Ayush; Cheng, Lan
err分享
err收藏
Phenolic acids modified cellulose microspheres for selective capture of Bi (III): Batch, column and mechanism investigation
errSEPARATION AND PURIFICATION TECHNOLOGY
IF9
err2022-08-01
err4
PREAI
errZhang, Manman; Liu, Junzi; Dong, Zhen; Zhai, Maolin; Zhao, Long
err分享
err收藏
Aminomethylpyridine isomers functionalized cellulose microspheres for TcO4-/ReO4- uptake: Structure-properties relationship and their application in different aquatic systems
errJOURNAL OF HAZARDOUS MATERIALS
IF11.3
err2022-07-01
err20
PREAI
errDong, Zhen; Liu, Junzi; Wen, Di; Zhai, Maolin; Zhao, Long
err分享
err收藏
Geometry optimizations with spinor-based relativistic coupled-cluster theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-04-18
err6
PREAI
errZheng, Xuechen; Zhang, Chaoqun; Liu, Junzi; Cheng, Lan
err分享
err收藏
Quadratic Unitary Coupled-Cluster Singles and Doubles Scheme: Efficient Implementation, Benchmark Study, and Formulation of an Extended Version
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-03-21
err8
errOAAI
errLiu, Junzi; Matthews, Devin A.; Cheng, Lan
err分享
err收藏
Unitary coupled-cluster based self-consistent polarization propagator theory: A quadratic unitary coupled-cluster singles and doubles scheme
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-11-01
err8
errOAAI
errLiu, Junzi; Cheng, Lan
err分享
err收藏
Relativistic coupled-cluster and equation-of-motion coupled-cluster methods相对论耦合簇和运动方程耦合簇方法
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2021-05-05
err44
errOAAI
errLiu, Junzi; Cheng, Lan
err分享
err收藏
Analytic evaluation of energy first derivatives for spin-orbit coupled-cluster singles and doubles augmented with noniterative triples method: General formulation and an implementation for first-order properties
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-02-12
err18
errOAAI
errLiu, Junzi; Zheng, Xuechen; Asthana, Ayush; Zhang, Chaoqun; Cheng, Lan
err分享
err收藏
Recent developments in the PySCF program package
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-07-09
err482
errOAAI
errSun, Qiming; Zhang, Xing; Banerjee, Samragni; Bao, Peng; Barbry, Marc; Blunt, Nick S.; Bogdanov, Nikolay A.; Booth, George H.; Chen, Jia; Cui, Zhi-Hao; Eriksen, Janus Juul; Gao, Yang; Guo, Sheng; Hermann, Jan; Hermes, Matthew R.; Koh, Kevin; Koval, Peter; Lehtola, Susi; Li, Zhendong; Liu, Junzi; Mardirossian, Narbe; McClain, James D.; Motta, Mario; Mussard, Bastien; Pham, Hung Q.; Pulkin, Artem; Purwanto, Wirawan; Robinson, Paul J.; Ronca, Enrico; Sayfutyarova, Elvira; Scheurer, Maximilian; Schurkus, Henry F.; Smith, James E. T.; Sun, Chong; Sun, Shi-Ning; Upadhyay, Shiv; Wagner, Lucas K.; Wang, Xiao; White, Alec; Whitfield, James Daniel; Williamson, Mark J.; Wouters, Sebastian; Yang, Jun; Yu, Jason M.; Zhu, Tianyu; Berkelbach, Timothy C.; Sharma, Sandeep; Sokolov, Alexander; Chan, Garnet Kin-Lic
err分享
err收藏
Third-Order Unitary Coupled Cluster (UCC3) for Excited Electronic States: Efficient Implementation and Benchmarking
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-05-12
err13
PREAI
errHodecker, Manuel; Thielen, Sebastian M.; Liu, Junzi; Rehn, Dirk R.; Dreuw, Andreas
err分享
err收藏
Synergistic antibacterial mechanism of Bi2Te3 nanoparticles combined with the ineffective β-lactam antibiotic cefotaxime against methicillin-resistant Staphylococcus aureusBi2Te3纳米粒联合无效 β-内酰胺类抗生素头孢噻肟对耐甲氧西林金黄色葡萄球菌的协同抗菌机制
errJOURNAL OF INORGANIC BIOCHEMISTRY
IF3.2
err2019-07-01
err26
PREAI
errLiu, Xiangyu; Ma, Lulu; Chen, Fan; Liu, Junzi; Yang, Hao; Lu, Zhong
err分享
err收藏
Exact two-component equation-of-motion coupled-cluster singles and doubles method using atomic mean-field spin-orbit integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-02-15
err44
PREAI
errAsthana, Ayush; Liu, Junzi; Cheng, Lan
err分享
err收藏
Benchmark Calculations of K-Edge Ionization Energies for First-Row Elements Using Scalar-Relativistic Core-Valence-Separated Equation-of-Motion Coupled-Cluster Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-01-31
err72
errOAAI
errLiu, Junzi; Matthews, Devin; Coriani, Sonia; Cheng, Lan
err分享
err收藏
Unitary coupled-cluster based self-consistent polarization propagator theory: A third-order formulation and pilot applications
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-06-29
err28
PREAI
errLiu, Junzi; Asthana, Ayush; Cheng, Lan; Mukherjee, Debashis
err分享
err收藏
An atomic mean-field spin-orbit approach within exact two-component theory for a non-perturbative treatment of spin-orbit coupling
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-04-12
err76
PREAI
errLiu, Junzi; Cheng, Lan
err分享
err收藏
Two-component relativistic coupled-cluster methods using mean-field spin-orbit integrals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-19
err50
PREAI
errLiu, Junzi; Shen, Yue; Asthana, Ayush; Cheng, Lan
err分享
err收藏
PYSCF: the Python-based simulations of chemistry frameworkPYSCF: 基于Python的化学模拟框架
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2017-09-28
err1.1K
errOAAI
errSun, Qiming; Berkelbach, Timothy C.; Blunt, Nick S.; Booth, George H.; Guo, Sheng; Li, Zhendong; Liu, Junzi; McClain, James D.; Sayfutyarova, Elvira R.; Sharma, Sandeep; Wouters, Sebastian; Chan, Garnet Kin-Lic
err分享
err收藏
Evaluating Electronic Couplings for Excited State Charge Transfer Based on Maximum Occupation Method ΔSCF Quasi-Adiabatic States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-01-23
err18
PREAI
errLiu, Junzi; Zhang, Yong; Bao, Peng; Yi, Yuanping
err分享
err收藏

研究方向

暂时未获取到该数据
合作学者
合作期刊
易院平 封面图
易院平 (Yuanping Yi)
H 指数: 88 · 论文数: 437
G
Garnet Kin‐Lic Chan
H 指数: 67 · 论文数: 351
W
Wenjian Liu
H 指数: 66 · 论文数: 388
A
Andreas Dreuw
H 指数: 60 · 论文数: 646
张超群 封面图
张超群 (Chaoqun Zhang)
H 指数: 58 · 论文数: 351
查看更多