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J

Jiří Brabec

University of California System

22H指数
73论文数
1.3K被引数
收录论文 29
发表时间
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Density Matrix Renormalization Group Approach Based on the Coupled-Cluster Downfolded Hamiltonians基于耦合簇降维哈密顿量的密度矩阵重整化群方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2025-04-28
err0
PREAI
errBauman, Nicholas; Veis, Libor; Kowalski, Karol; Brabec, Jiri
err分享
err收藏
Importance of Electron Correlation on the Geometry and Electronic Structure of [2Fe-2S] Systems: A Benchmark Study of the [Fe2S2(SCH3)4]2-,3-,4-, [Fe2S2(SCys)4]2-, [Fe2S2(S-p-tol)4]2-, and [Fe2S2(S-o-xyl)4]2- Complexes电子相关对 [2Fe-2S] 系统的几何和电子结构的重要性: [Fe2S2(SCH3)4]2-，3-，4-，[Fe2S2(SCys)4]2-的基准研究，[Fe2S2 (s-p-tol) 4]2-和 [Fe2S2 (s-o-xyl) 4]2-配合物
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-11-19
err2
PREAI
errTzeli, Demeter; Golub, Pavlo; Brabec, Jiri; Matousek, Mikulas; Pernal, Katarzyna; Veis, Libor; Raugei, Simone; Xantheas, Sotiris S.
err分享
err收藏
On-Surface Synthesis and Determination of the Open-Shell Singlet Ground State of Tridecacene
errANGEWANDTE CHEMIE-INTERNATIONAL EDITION
IF16.9
err2024-01-24
err11
PREAI
errZuzak, Rafal; Kumar, Manish; Stoica, Otilia; Soler-Polo, Diego; Brabec, Jiri; Pernal, Katarzyna; Veis, Libor; Blieck, Remi; Echavarren, Antonio M.; Jelinek, Pavel; Godlewski, Szymon
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err收藏
Hilbert space multireference coupled cluster tailored by matrix product states
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-12-14
err1
errOAAI
errDemel, Ondrej; Brandejs, Jan; Lang, Jakub; Brabec, Jiri; Veis, Libor; Legeza, Ors; Pittner, Jiri
err分享
err收藏
Role of Spin Polarization and Dynamic Correlation in Singlet-Triplet Gap Inversion of Heptazine Derivatives
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-10-21
err20
errOAAI
errDrwal, Daria; Matousek, Mikulas; Golub, Pavlo; Tucholska, Aleksandra; Hapka, Michal; Brabec, Jiri; Veis, Libor; Pernal, Katarzyna
err分享
err收藏
TAMM: Tensor algebra for many-body methods
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-07-10
err7
errOAAI
errMutlu, Erdal; Panyala, Ajay; Gawande, Nitin; Bagusetty, Abhishek; Glabe, Jeffrey; Kim, Jinsung; Kowalski, Karol; Bauman, Nicholas P.; Peng, Bo; Pathak, Himadri; Brabec, Jiri; Krishnamoorthy, Sriram
err分享
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Interplay between π-Conjugation and Exchange Magnetism in One- Dimensional Porphyrinoid Polymers
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2022-07-11
err22
errOAAI
errBiswas, Kalyan; Urbani, Maxence; Sanchez-Grande, Ana; Soler-Polo, Diego; Lauwaet, Koen; Matej, Adam; Mutombo, Pingo; Veis, Libor; Brabec, Jiri; Pernal, Katarzyna; Gallego, Jose M.; Miranda, Rodolfo; Ecija, David; Jelinek, Pavel; Torres, Tomas; Urgel, Jose I.
err分享
err收藏
The Effect of Geometry, Spin, and Orbital Optimization in Achieving Accurate, Correlated Results for Iron-Sulfur Cubanes
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-01-16
err13
errOAAI
errMejuto-Zaera, Carlos; Tzeli, Demeter; Williams-Young, David; Tubman, Norm M.; Matousek, Mikulas; Brabec, Jiri; Veis, Libor; Xantheas, Sotiris S.; de Jong, Wibe A.
err分享
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Machine Learning-Assisted Selection of Active Spaces for Strongly Correlated Transition Metal Systems
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-09-27
err19
PREAI
errGolub, Pavlo; Antalik, Andrej; Veis, Libor; Brabec, Jiri
err分享
err收藏
On-Surface Strain-Driven Synthesis of Nonalternant Non-Benzenoid Aromatic Compounds Containing Four- to Eight-Membered Rings
errJOURNAL OF THE AMERICAN CHEMICAL SOCIETY
IF15.6
err2021-08-11
err34
PREAI
errMallada, Benjamin; de la Torre, Bruno; Mendieta-Moreno, Jesus, I; Nachtigallova, Dana; Matej, Adam; Matousek, Mikulas; Mutombo, Pingo; Brabec, Jiri; Veis, Libor; Cadart, Timothee; Kotora, Martin; Jelinek, Pavel
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Massively parallel quantum chemical density matrix renormalization group method
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2020-12-30
err43
errOAAI
errBrabec, Jiri; Brandejs, Jan; Kowalski, Karol; Xantheas, Sotiris; Legeza, Ors; Veis, Libor
err分享
err收藏
On-Surface Synthesis and Characterization of [7]Triangulene Quantum Ring[7] 三角烯量子环的表面合成与表征
errNANO LETTERS
IF9.1
err2020-12-11
err76
PREAI
errSu, Jie; Fan, Wei; Mutombo, Pingo; Peng, Xinnan; Song, Shaotang; Ondracek, Martin; Golub, Pavlo; Brabec, Jiri; Veis, Libor; Telychko, Mykola; Jelinek, Pavel; Wu, Jishan; Lu, Jiong
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Solving Coupled Cluster Equations by the Newton Krylov Method
errFRONTIERS IN CHEMISTRY
IF4.2
err2020-12-10
err9
errOAAI
errYang, Chao; Brabec, Jiri; Veis, Libor; Williams-Young, David B.; Kowalski, Karol
err分享
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On-Surface Hydrogenation of Buckybowls: From Curved Aromatic Molecules to Planar Non-Kekule Aromatic Hydrocarbons
errACS NANO
IF16
err2020-07-20
err14
errOAAI
errWackerlin, Christian; Gallardo, Aurelio; Mairena, Anais; Baljozovic, Milos; Cahlik, Ales; Antalik, Andrej; Brabec, Jiri; Veis, Libor; Nachtigallova, Dana; Jelinek, Pavel; Ernst, Karl-Heinz
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Near-Linear Scaling in DMRG-Based Tailored Coupled Clusters: An Implementation of DLPNO-TCCSD and DLPNO-TCCSD(T)
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-04-10
err15
errOAAI
errLang, Jakub; Antalik, Andrej; Veis, Libor; Brandejs, Jan; Brabec, Jiri; Legeza, Ors; Pittner, Jiri
err分享
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Toward the efficient local tailored coupled cluster approximation and the peculiar case of oxo-Mn(Salen)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-08-30
err16
errOAAI
errAntalik, Andrej; Veis, Libor; Brabec, Jiri; Demel, Ondrej; Legeza, OErs; Pittner, Jiri
err分享
err收藏
Numerical and Theoretical Aspects of the DMRG-TCC Method Exemplified by the Nitrogen Dimer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-02-25
err41
errOAAI
errFaulstich, Fabian M.; Mate, Mihaly; Laestadius, Andre; Csirik, Mihaly Andras; Veis, Libor; Antalik, Andrej; Brabec, Jiri; Schneider, Reinhold; Pittner, Jiri; Kvaal, Simen; Legeza, Ors
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err收藏
Distributions of vascular plants in the Czech Republic. Part 7
errPRESLIA
IF2.9
err2018-12-01
err29
errOAAI
errKaplan, Zdenek; Danihelka, Jiri; Chrtek, Jindrich, Jr.; Prancl, Jan; Duchacek, Michal; Ekrt, Libor; Kirschner, Jan; Brabec, Jiri; Zazvorka, Jiri; Travnicek, Bohumil; Drevojan, Pavel; Sumberova, Katerina; Kocian, Petr; Wild, Jan; Petrik, Petr
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Domain-Based Local Pair Natural Orbital Version of Mukherjee's State-Specific Coupled Cluster Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-01-18
err32
PREAI
errBrabec, Jiri; Lang, Jakub; Saitow, Masaaki; Pittner, Jiri; Neese, Frank; Demel, Ondrej
err分享
err收藏
Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory线性响应时间相关密度泛函理论的高效块预处理特征求解器
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2017-12-01
err13
errOAAI
errVecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; Govind, Niranjan; Yang, Chao
err分享
err收藏

研究方向

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Wu Jishan 封面图
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