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E

Erik Rosendahl Kjellgren

University of Southern Denmark

9H指数
55论文数
301被引数
收录论文 20
发表时间
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Orbital-Optimized Unitary Coupled Cluster for Indirect Nuclear Spin-Spin Coupling Constants within a Quantum Linear Response Framework轨道优化的酉耦合簇方法用于量子线性响应框架内的间接核自旋-自旋耦合常数
errJournal of Chemical Theory and Computation
IF5.5
err2026-03-01
err0
PREAI
errFuglsbjerg, Juliane H.; Reinholdt, Peter; Kjellgren, Erik; Jensen, Phillip W. K.; Coriani, Sonia; Kongsted, Jacob; Sauer, Stephan P. A.
err分享
err收藏
Reduced Density Matrix and Cumulant Approximations of Quantum Linear Response
errJournal of Chemical Theory and Computation
IF5.5
err2026-02-05
err0
errOAAI
errTheo Juncker von Buchwald; Erik Rosendahl Kjellgren; Jacob Kongsted; Stephan P. A. Sauer; Sonia Coriani; Karl Michael Ziems
err分享
err收藏
Hyperfine Coupling Constants on Quantum Computers: Performance, Errors, and Future Prospects量子计算机上的超精细耦合常数：性能、误差及未来展望
errJournal of Chemical Theory and Computation
IF5.5
err2025-08-11
err0
errOAAI
errPhillip W. K. Jensen; Gustav Stausbøll Hedemark; Karl Michael Ziems; Erik Rosendahl Kjellgren; Peter Reinholdt; Stefan Knecht; Sonia Coriani; Jacob Kongsted; Stephan P. A. Sauer
err分享
err收藏
Excited-state methods based on state-averaged long-range CASSCF short-range DFT基于状态平均长程CASSCF短程DFT的激发态方法
errPhys. Chem. Chem. Phys.
IF2.9
err2025-08-11
err0
errOAAI
errBenjamin Helmich-Paris; Erik Rosendahl Kjellgren; Hans Jørgen Aa. Jensen
err分享
err收藏
Critical Limitations in Quantum-Selected Configuration Interaction Methods量子选配组态相互作用方法中的关键局限性
errJournal of Chemical Theory and Computation
IF5.5
err2025-06-30
err0
PREAI
errPeter Reinholdt; Karl Michael Ziems; Erik Rosendahl Kjellgren; Sonia Coriani; Stephan P. A. Sauer; Jacob Kongsted
err分享
err收藏
Multiconfigurational short-range on-top pair-density functional theory多构型短程上对-密度泛函理论
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2025-01-15
err0
PREAI
errJorgensen, Frederik Kamper; Kjellgren, Erik Rosendahl; Jensen, Hans Jorgen Aagaard; Hedegard, Erik Donovan
err分享
err收藏
Divergences in classical and quantum linear response and equation of motion formulations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-09-25
err1
errOAAI
errKjellgren, Erik Rosendahl; Reinholdt, Peter; Ziems, Karl Michael; Sauer, Stephan P. A.; Coriani, Sonia; Kongsted, Jacob
err分享
err收藏
Reduced Density Matrix Formulation of Quantum Linear Response
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-08-06
err3
errOAAI
errvon Buchwald, Theo Juncker; Ziems, Karl Michael; Kjellgren, Erik Rosendahl; Sauer, Stephan P. A.; Kongsted, Jacob; Coriani, Sonia
err分享
err收藏
Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-03
err8
errOAAI
errJensen, Phillip W. K.; Kjellgren, Erik Rosendahl; Reinholdt, Peter; Ziems, Karl Michael; Coriani, Sonia; Kongsted, Jacob; Sauer, Stephan P. A.
err分享
err收藏
Subspace Methods for the Simulation of Molecular Response Properties on a Quantum Computer
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-05-01
err5
errOAAI
errReinholdt, Peter; Kjellgren, Erik Rosendahl; Fuglsbjerg, Juliane Holst; Ziems, Karl Michael; Coriani, Sonia; Sauer, Stephan P. A.; Kongsted, Jacob
err分享
err收藏
Which Options Exist for NISQ-Friendly Linear Response Formulations?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2024-04-25
err9
errOAAI
errZiems, Karl Michael; Kjellgren, Erik Rosendahl; Reinholdt, Peter; Jensen, Phillip W. K.; Sauer, Stephan P. A.; Kongsted, Jacob; Coriani, Sonia
err分享
err收藏
The variational quantum eigensolver self-consistent field method within a polarizable embedded framework
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2024-03-27
err4
errOAAI
errKjellgren, Erik Rosendahl; Reinholdt, Peter; Fitzpatrick, Aaron; Talarico, Walter N.; Jensen, Phillip W. K.; Sauer, Stephan P. A.; Coriani, Sonia; Knecht, Stefan; Kongsted, Jacob
err分享
err收藏
Multiconfigurational short-range density functional theory for nuclear magnetic resonance shielding constants with gauge-including atomic orbitals
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2022-10-26
err3
errOAAI
errJorgensen, Frederik Kamper; Kjellgren, Erik Rosendahl; Jensen, Hans Jorgen Aagaard; Hedegard, Erik Donovan
err分享
err收藏
Multi-configurational short-range density functional theory can describe spin-spin coupling constants of transition metal complexes
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-08-26
err5
errOAAI
errKjellgren, Erik Rosendahl; Jensen, Hans Jorgen Aagaard
err分享
err收藏
Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systemsDalton项目: 用于复杂系统的分子和电子结构模拟的Python平台
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2020-06-05
err53
errOAAI
errOlsen, Jogvan Magnus Haugaard; Reine, Simen; Vahtras, Olav; Kjellgren, Erik; Reinholdt, Peter; Dundas, Karen Oda Hjorth; Li, Xin; Cukras, Janusz; Ringholm, Magnus; Hedegard, Erik D.; Di Remigio, Roberto; List, Nanna H.; Faber, Rasmus; Tenorio, Bruno Nunes Cabral; Bast, Radovan; Pedersen, Thomas Bondo; Rinkevicius, Zilvinas; Sauer, Stephan P. A.; Mikkelsen, Kurt V.; Kongsted, Jacob; Coriani, Sonia; Ruud, Kenneth; Helgaker, Trygve; Jensen, Hans Jorgen Aa.; Norman, Patrick
err分享
err收藏
Cost-Effective Potential for Accurate Polarizable Embedding Calculations in Protein Environments
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-12-19
err11
errOAAI
errReinholdt, Peter; Kjellgren, Erik Rosendahl; Steinmann, Casper; Olsen, Jogvan Magnus Haugaard
err分享
err收藏
CPPE: An Open-Source C plus plus and Python Library for Polarizable EmbeddingCPPE: 用于极化嵌入的开源C plus plus和Python库
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-10-03
err24
errOAAI
errScheurer, Maximilian; Reinholdt, Peter; Kjellgren, Erik Rosendahl; Olsen, Jogvan Magnus Haugaard; Dreuw, Andreas; Kongsted, Jacob
err分享
err收藏
Triplet excitation energies from multiconfigurational short-range density-functional theory response calculations
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-09-27
err10
errOAAI
errKjellgren, Erik Rosendahl; Hedegard, Erik Donovan; Jensen, Hans Jorgen Aagaard
err分享
err收藏
Importance of Accurate Structures for Quantum Chemistry Embedding Methods: Which Strategy Is Better?
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2018-07-03
err25
errOAAI
errKjellgren, Erik Rosendahl; Olsen, Jogvan Magnus Haugaard; Kongsted, Jacob
err分享
err收藏
Perturbatively Corrected Linear Response Selected Configuration Interaction微扰修正的线性响应选配相互作用
errJournal of Physical Chemistry A
IF2.8
err
err0
PREAI
errPeter Reinholdt; Erik Rosendahl Kjellgren; Jacob Kongsted
err分享
err收藏

研究方向

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合作学者
合作期刊
T
Trygve Helgaker
H 指数: 87 · 论文数: 435
李鑫 封面图
李鑫 (Xin Li)
H 指数: 72 · 论文数: 661
K
Kenneth Ruud
H 指数: 72 · 论文数: 422
K
Kurt V. Mikkelsen
H 指数: 62 · 论文数: 540
H
Hans Jørgen Aa. Jensen
H 指数: 61 · 论文数: 227
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