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S

Sebastian Wouters

hun-ren

17H指数
60论文数
5.2K被引数
收录论文 17
发表时间
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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
OpenMolcas: From Source Code to Insight
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-09-11
err806
errOAAI
errGalvan, Ignacio Fdez; Vacher, Morgane; Alavi, Ali; Angeli, Celestino; Aquilante, Francesco; Autschbach, Jochen; Bao, Jie J.; Bokarev, Sergey I.; Bogdanov, Nikolay A.; Carlson, Rebecca K.; Chibotaru, Liviu F.; Creutzberg, Joel; Dattani, Nike; Delcey, Mickael G.; Dong, Sijia S.; Dreuw, Andreas; Freitag, Leon; Manuel Frutos, Luis; Gagliardi, Laura; Gendron, Frederic; Giussani, Angelo; Gonzalez, Leticia; Grell, Gilbert; Guo, Meiyuan; Hoyer, Chad E.; Johansson, Marcus; Keller, Sebastian; Knecht, Stefan; Kovacevic, Goran; Kallman, Erik; Li Manni, Giovanni; Lundberg, Marcus; Ma, Yingjin; Mai, Sebastian; Malhado, Joao Pedro; Malmqvist, Per Ake; Marquetand, Philipp; Mewes, Stefanie A.; Norell, Jesper; Olivucci, Massimo; Oppel, Markus; Quan Manh Phung; Pierloot, Kristine; Plasser, Felix; Reiher, Markus; Sand, Andrew M.; Schapiro, Igor; Sharma, Prachi; Stein, Christopher J.; Sorensen, Lasse Kragh; Truhlar, Donald G.; Ugandi, Mihkel; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Weser, Oskar; Wesolowski, Tomasz A.; Widmark, Per-Olof; Wouters, Sebastian; Zech, Alexander; Zobel, J. Patrick; Lindh, Roland
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err收藏
T3NS: Three-Legged Tree Tensor Network States
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-02-26
err42
errOAAI
errGunst, Klaas; Verstraete, Frank; Wouters, Sebastian; Legeza, Ors; Van Neck, Dimitri
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
Block product density matrix embedding theory for strongly correlated spin systems
errPHYSICAL REVIEW B
IF3.7
err2017-05-11
err20
errOAAI
errGunst, Klaas; Wouters, Sebastian; De Baerdemacker, Stijn; Van Neck, Dimitri
err分享
err收藏
Cumulant Approximated Second-Order Perturbation Theory Based on the Density Matrix Renormalization Group for Transition Metal Complexes: A Benchmark Study
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-08-31
err104
errOAAI
errQuan Manh Phung; Wouters, Sebastian; Pierloot, Kristine
err分享
err收藏
DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-08-05
err64
errOAAI
errWouters, Sebastian; Van Speybroeck, Veronique; Van Neck, Dimitri
err分享
err收藏
A Practical Guide to Density Matrix Embedding Theory in Quantum Chemistry量子化学中密度矩阵嵌入理论的实用指南
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2016-05-26
err184
errOAAI
errWouters, Sebastian; Jimenez-Hoyos, Carlos A.; Sun, Qiming; Chan, Garnet K. -L.
err分享
err收藏
PPV Polymerization through the Gilch Route: Diradical Character of Monomers通过Gilch路线进行PPV聚合: 单体的双自由基特性
errCHEMISTRY-A EUROPEAN JOURNAL
IF3.7
err2015-11-16
err8
errOAAI
errNikolic, Jelena D.; Wouters, Sebastian; Romanova, Julia; Shimizu, Akihiro; Champagne, Benoit; Junkers, Tanja; Vanderzande, Dirk; Van Neck, Dimitri; Waroquier, Michel; Van Speybroeck, Veronique; Catak, Saron
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Mechanistic Investigation on Oxygen Transfer with the Manganese-Salen Complex
errCHEMCATCHEM
IF3.9
err2015-08-06
err10
errOAAI
errBogaerts, Thomas; Wouters, Sebastian; Van der Voort, Pascal; Van Speybroeck, Veronique
err分享
err收藏
CHEMPS2: Improved DMRG-SCF routine and correlation functions
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2015-06-01
err15
PREAI
errWouters, Sebastian; Poelmans, Ward; De Baerdemacker, Stijn; Ayers, Paul W.; Van Neck, Dimitri
err分享
err收藏
Possibility of [1,5] Sigmatropic Shifts in Bicyclo[4.2.0]octa-2,4-dienes
errJOURNAL OF ORGANIC CHEMISTRY
IF3.6
err2015-02-12
err11
errOAAI
errGoossens, Hannelore; Winne, Johan M.; Wouters, Sebastian; Hermosilla, Laura; De Clercq, Pierre J.; Waroquier, Michel; Van Speybroeck, Veronique; Catak, Saron
err分享
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Projector quantum Monte Carlo with matrix product states
errPHYSICAL REVIEW B
IF3.7
err2014-07-03
err20
errOAAI
errWouters, Sebastian; Verstichel, Brecht; Van Neck, Dimitri; Chan, Garnet Kin-Lic
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err收藏
Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2014-06-30
err88
errOAAI
errWouters, Sebastian; Bogaerts, Thomas; Van der Voort, Pascal; Van Speybroeck, Veronique; Van Neck, Dimitri
err分享
err收藏
CheMPS2: A free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistryCheMPS2: 从头算量子化学的密度矩阵重归一化组的免费开源自旋适应实现
errCOMPUTER PHYSICS COMMUNICATIONS
IF3.4
err2014-06-01
err155
errOAAI
errWouters, Sebastian; Poelmans, Ward; Ayers, Paul W.; Van Neck, Dimitri
err分享
err收藏
Thouless theorem for matrix product states and subsequent post density matrix renormalization group methods
errPHYSICAL REVIEW B
IF3.7
err2013-08-12
err40
errOAAI
errWouters, Sebastian; Nakatani, Naoki; Van Neck, Dimitri; Chan, Garnet Kin-Lic
err分享
err收藏
Longitudinal static optical properties of hydrogen chains: Finite field extrapolations of matrix product state calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2012-04-05
err59
errOAAI
errWouters, Sebastian; Limacher, Peter A.; Van Neck, Dimitri; Ayers, Paul W.
err分享
err收藏

研究方向

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合作期刊
D
Donald G. Truhlar
H 指数: 187 · 论文数: 1.9K
L
Laura Gagliardi
H 指数: 97 · 论文数: 1.1K
V
Véronique Van Speybroeck
H 指数: 92 · 论文数: 827
F
Frank Verstraete
H 指数: 86 · 论文数: 335
J
Jochen Autschbach
H 指数: 84 · 论文数: 869
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