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R

Róbert Izsák

riverlane

32H指数
78论文数
4.5K被引数
收录论文 38
发表时间
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Frozen Natural Orbital-Based Extended Second-Order Algebraic Diagrammatic Construction for Core Ionization: Theory; Implementation; and Benchmark基于冻结自然轨道的扩展二阶代数图解构造方法用于核心电离：理论；实现；及基准测试
errThe Journal of Physical Chemistry A
IF2.8
err2026-06-02
err0
PREAI
errKamal Majee; Tamoghna Mukhopadhyay; Amrita Manna; Róbert Izsák; Achintya Kumar Dutta
err分享
err收藏
Quantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set基于投影缀加波方法和平面波基组的电子结构量子计算
errJournal of Chemical Theory and Computation
IF5.5
err2025-08-04
err0
errOAAI
errAleksei V. Ivanov; Andrew Patterson; Marius Bothe; Christoph Sünderhauf; Bjorn K. Berntson; Jens Jørgen Mortensen; Mikael Kuisma; Earl Campbell; Róbert Izsák
err分享
err收藏
Quantum simulations of chemistry in first quantization with any basis set第一量纲中任意基组的化学量子模拟
errNPJ QUANTUM INFORMATION
IF8.3
err2025-04-01
err0
errOAAI
errGeorges, Timothy N.; Bothe, Marius; Sunderhauf, Christoph; Berntson, Bjorn K.; Izsak, Robert; Ivanov, Aleksei V.
err分享
err收藏
Statistical Phase Estimation and Error Mitigation on a Superconducting Quantum Processor
errPRX QUANTUM
IF11
err2023-12-12
err6
errOAAI
errBlunt, Nick S.; Caune, Laura; Izsak, Robert; Campbell, Earl T.; Holzmann, Nicole
err分享
err收藏
Measuring Electron Correlation: The Impact of Symmetry and Orbital Transformations
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2023-04-06
err12
errOAAI
errIzsak, Robert; Ivanov, Aleksei V.; Blunt, Nick S.; Holzmann, Nicole; Neese, Frank
err分享
err收藏
Perspective on the Current State-of-the-Art of Quantum Computing for Drug Discovery Applications量子计算在药物发现应用中的最新技术展望
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2022-11-10
err61
errOAAI
errBlunt, Nick S.; Camps, Joan; Crawford, Ophelia; Izsak, Robert; Leontica, Sebastian; Mirani, Arjun; Moylett, Alexandra E.; Scivier, Sam A.; Sunderhauf, Christoph; Schopf, Patrick; Taylor, Jacob M.; Holzmann, Nicole
err分享
err收藏
Quantum computing in pharma: A multilayer embedding approach for near future applications
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2022-07-05
err13
errOAAI
errIzsak, Robert; Riplinger, Christoph; Blunt, Nick S.; de Souza, Bernardo; Holzmann, Nicole; Crawford, Ophelia; Camps, Joan; Neese, Frank; Schopf, Patrick
err分享
err收藏
An improved chain of spheres for exchange algorithm一种改进的球链交换算法
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2021-09-13
err164
errOAAI
errHelmich-Paris, Benjamin; de Souza, Bernardo; Neese, Frank; Izsak, Robert
err分享
err收藏
Fragment-Based Local Coupled Cluster Embedding Approach for the Quantification and Analysis of Noncovalent Interactions: Exploring the Many-Body Expansion of the Local Coupled Cluster Energy
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2021-05-26
err14
errOAAI
errGhosh, Soumen; Neese, Frank; Izsak, Robert; Bistoni, Giovanni
err分享
err收藏
Redesigning donor-acceptor Stenhouse adduct photoswitches through a joint experimental and computational study
errCHEMICAL SCIENCE
IF7.4
err2021-01-01
err24
errOAAI
errBerraud-Pache, Romain; Santamaria-Aranda, Eduardo; de Souza, Bernardo; Bistoni, Giovanni; Neese, Frank; Sampedro, Diego; Izsak, Robert
err分享
err收藏
A New Benchmark Set for Excitation Energy of Charge Transfer States: Systematic Investigation of Coupled Cluster Type Methods
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2020-06-05
err62
errOAAI
errKozma, Balazs; Tajti, Attila; Demoulin, Baptiste; Izsak, Robert; Nooijen, Marcel; Szalay, Peter G.
err分享
err收藏
Unveiling the Photophysical Properties of Boron-dipyrromethene Dyes Using a New Accurate Excited State Coupled Cluster Method
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-11-25
err80
errOAAI
errBerraud-Pache, Romain; Neese, Frank; Bistoni, Giovanni; Izsak, Robert
err分享
err收藏
Single-reference coupled cluster methods for computing excitation energies in large molecules: The efficiency and accuracy of approximations
errWILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE
IF27
err2019-09-12
err72
errOAAI
errIzsak, Robert
err分享
err收藏
Accurate Band Gap Predictions of Semiconductors in the Framework of the Similarity Transformed Equation of Motion Coupled Cluster Theory在运动耦合簇理论的相似变换方程的框架内对半导体进行精确的带隙预测
errINORGANIC CHEMISTRY
IF4.7
err2019-06-26
err70
errOAAI
errDittmer, Anneke; Izsak, Robert; Neese, Frank; Maganas, Dimitrios
err分享
err收藏
Efficient simulation of overtones and combination bands in resonant Raman spectra
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-06-03
err27
PREAI
errde Souza, Bernardo; Farias, Giliandro; Neese, Frank; Izsak, Robert
err分享
err收藏
A domain-based local pair natural orbital implementation of the equation of motion coupled cluster method for electron attached states电子附着态运动方程耦合簇方法的基于域的局部对自然轨道实现
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2019-04-29
err64
PREAI
errDutta, Achintya Kumar; Saitow, Masaaki; Demoulin, Baptiste; Neese, Frank; Izsak, Robert
err分享
err收藏
Multilayer Approach to the IP-EOM-DLPNO-CCSD Method: Theory, Implementation, and Application
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-03-12
err25
PREAI
errHaldar, Soumi; Riplinger, Christoph; Demoulin, Baptiste; Neese, Frank; Izsak, Robert; Dutta, Achintya Kumar
err分享
err收藏
Predicting Phosphorescence Rates of Light Organic Molecules Using Time-Dependent Density Functional Theory and the Path Integral Approach to Dynamics
errJOURNAL OF CHEMICAL THEORY AND COMPUTATION
IF5.5
err2019-02-05
err209
errOAAI
errde Souza, Bernardo; Farias, Giliandro; Neese, Frank; Izsak, Robert
err分享
err收藏
Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones
errJOURNAL OF COMPUTATIONAL CHEMISTRY
IF4.8
err2018-10-03
err12
PREAI
errSchulz, Christine E.; Dutta, Achintya Kumar; Izsak, Robert; Pantazis, Dimitrios A.
err分享
err收藏
An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
errJOURNAL OF CHEMICAL PHYSICS
IF3.1
err2018-09-21
err11
PREAI
errSen, Avijit; de Souza, Bernardo; Huntington, Lee M. J.; Krupicka, Martin; Neese, Frank; Izsak, Robert
err分享
err收藏

研究方向

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合作期刊
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E
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W
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T
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A
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