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U

Ute Becker

Max Planck Society

13H指数
15论文数
1.1W被引数
收录论文 10
发表时间
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SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. VI. Linear-scaling explicitly correlated N-electron valence state perturbation theory with pair natural orbital
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2023-03-30
err1
errOAAI
errGuo, Yang; Pavosevic, Fabijan; Sivalingam, Kantharuban; Becker, Ute; Valeev, Edward F. F.; Neese, Frank
err分享
err收藏
Implicit solvation in domain based pair natural orbital coupled cluster (DLPNO-CCSD) theory基于域的对自然轨道耦合簇 (DLPNO-CCSD) 理论中的隐式溶剂化
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2021-08-04
err20
errOAAI
errGarcia-Rates, Miquel; Becker, Ute; Neese, Frank
err分享
err收藏
Nudged Elastic Band Method for Molecular Reactions Using Energy-Weighted Springs Combined with Eigenvector Following使用能量加权弹簧结合特征向量跟踪的分子反应的轻推弹性带方法
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-07-18
err215
PREAI
errAsgeirsson, Vilhjalmur; Birgisson, Benedikt Orri; Bjornsson, Ragnar; Becker, Ute; Neese, Frank; Riplinger, Christoph; Jonsson, Hannes
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err收藏
The ORCA quantum chemistry program packageORCA量子化学程序包
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-12
err3.0K
errOAAI
errNeese, Frank; Wennmohs, Frank; Becker, Ute; Riplinger, Christoph
err分享
err收藏
Linear scaling perturbative triples correction approximations for open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory [DLPNO-CCSD(T0/T)]基于开壳域的局部对自然轨道耦合团簇单双理论的线性缩放扰动三元组校正近似 [dlpno-ccsd (T0/T)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-01-10
err67
PREAI
errGuo, Yang; Riplinger, Christoph; Liakos, Dimitrios G.; Becker, Ute; Saitow, Masaaki; Neese, Frank
err分享
err收藏
Comparison and combination of direct and fragment based local correlation methods: Cluster in molecules and domain based local pair natural orbital perturbation and coupled cluster theories
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-03-28
err46
PREAI
errGuo, Yang; Becker, Ute; Neese, Frank
err分享
err收藏
Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-01-04
err550
errOAAI
errGuo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios G.; Minenkov, Yury; Cavallo, Luigi; Neese, Frank
err分享
err收藏
Multilevel Approaches within the Local Pair Natural Orbital Framework
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2017-06-26
err42
PREAI
errSparta, Manuel; Retegan, Marius; Pinski, Peter; Riplinger, Christoph; Becker, Ute; Neese, Frank
err分享
err收藏
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2017-04-27
err336
PREAI
errSaitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank
err分享
err收藏
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory稀疏地图-用于缩小比例的电子结构方法的系统基础结构。二。基于线性标度域的对自然轨道耦合簇理论
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2016-01-11
err860
PREAI
errRiplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank
err分享
err收藏

研究方向

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合作学者
合作期刊
F
Frank Neese
H 指数: 141 · 论文数: 980
L
Luigi Cavallo
H 指数: 112 · 论文数: 1.2K
H
Hannes Jónsson
H 指数: 65 · 论文数: 400
E
Edward F. Valeev
H 指数: 46 · 论文数: 202
Y
Yang Guo
H 指数: 39 · 论文数: 108
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