| The Dalton Quantum Chemistry Program System K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 4 (3), 269-284, 2014 | 1443* | 2014 |
| Recent Developments in the PySCF Program Package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... Journal of Chemical Physics 153 (2), 024109, 2020 | 660 | 2020 |
| The Ground State Electronic Energy of Benzene JJ Eriksen, TA Anderson, JE Deustua, K Ghanem, D Hait, MR Hoffmann, ... The Journal of Physical Chemistry Letters 11 (20), 8922-8929, 2020 | 133 | 2020 |
| Failures of TDDFT in Describing the Lowest Intramolecular Charge-Transfer Excitation in para-Nitroaniline JJ Eriksen, SPA Sauer, KV Mikkelsen, O Christiansen, HJA Jensen, ... Molecular Physics 111 (9-11), 1235-1248, 2013 | 95 | 2013 |
| Linear-Scaling Coupled Cluster with Perturbative Triple Excitations: The Divide–Expand–Consolidate CCSD(T) Model JJ Eriksen, P Baudin, P Ettenhuber, K Kristensen, T Kjærgaard, ... Journal of Chemical Theory and Computation 11 (7), 2984-2993, 2015 | 93 | 2015 |
| Virtual Orbital Many-Body Expansions: A Possible Route Towards the Full Configuration Interaction Limit JJ Eriksen, F Lipparini, J Gauss The Journal of Physical Chemistry Letters 8 (18), 4633–4639, 2017 | 75 | 2017 |
| Many-Body Expanded Full Configuration Interaction. I. Weakly Correlated Regime JJ Eriksen, J Gauss Journal of Chemical Theory and Computation 14 (10), 5180-5191, 2018 | 57 | 2018 |
| Many-Body Expanded Full Configuration Interaction. II. Strongly Correlated Regime JJ Eriksen, J Gauss Journal of Chemical Theory and Computation 15 (9), 4873-4884, 2019 | 51 | 2019 |
| On the Importance of Excited State Dynamic Response Electron Correlation in Polarizable Embedding Methods JJ Eriksen, S Sauer, KV Mikkelsen, HJA Jensen, J Kongsted Journal of Computational Chemistry 33 (25), 2012-2022, 2012 | 48 | 2012 |
| A Lagrangian Framework for Deriving Triples and Quadruples Corrections to the CCSD Energy JJ Eriksen, K Kristensen, T Kjærgaard, P Jørgensen, J Gauss The Journal of Chemical Physics 140 (6), 064108, 2014 | 46 | 2014 |
| Generalized Many-Body Expanded Full Configuration Interaction Theory JJ Eriksen, J Gauss The Journal of Physical Chemistry Letters 10, 7910-7915, 2019 | 44 | 2019 |
| The Shape of Full Configuration Interaction to Come JJ Eriksen The Journal of Physical Chemistry Letters 12 (1), 418-432, 2021 | 42 | 2021 |
| Computational Protocols for Prediction of Solute NMR Relative Chemical Shifts. A Case Study of L‐Tryptophan in Aqueous Solution JJ Eriksen, JMH Olsen, K Aidas, H Ågren, KV Mikkelsen, J Kongsted Journal of Computational Chemistry 32 (13), 2853-2864, 2011 | 30 | 2011 |
| On the Convergence of Perturbative Coupled Cluster Triples Expansions: Error Cancellations in the CCSD(T) Model and the Importance of Amplitude Relaxation JJ Eriksen, P Jørgensen, J Gauss The Journal of Chemical Physics 142 (1), 014102, 2015 | 24 | 2015 |
| Assessment of the Accuracy of Coupled Cluster Perturbation Theory for Open-Shell Systems. I. Triples Expansions JJ Eriksen, DA Matthews, P Jørgensen, J Gauss The Journal of chemical physics 144 (19), 194102, 2016 | 21 | 2016 |
| Equation-of-Motion Coupled Cluster Perturbation Theory Revisited JJ Eriksen, P Jørgensen, J Olsen, J Gauss The Journal of Chemical Physics 140 (17), 174114, 2014 | 21 | 2014 |
| Efficient and Portable Acceleration of Quantum Chemical Many-Body Methods in Mixed Floating Point Precision Using OpenACC Compiler Directives JJ Eriksen Molecular Physics 115 (17-18), 2086-2101, 2017 | 20 | 2017 |
| Massively Parallel and Linear-Scaling Algorithm for Second-Order Møller–Plesset Perturbation Theory Applied to the Study of Supramolecular Wires T Kjærgaard, P Baudin, D Bykov, JJ Eriksen, P Ettenhuber, K Kristensen, ... Computer Physics Communications 212, 152, 2016 | 19 | 2016 |
| Incremental Treatments of the Full Configuration Interaction Problem JJ Eriksen, J Gauss Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1525, 2021 | 18 | 2021 |
| Communication: The Performance of Non-Iterative Coupled Cluster Quadruples Models JJ Eriksen, DA Matthews, P Jørgensen, J Gauss The Journal of Chemical Physics 143 (4), 041101, 2015 | 18 | 2015 |
Jürgen GaussProfessor of theoretical chemistry, Johannes Gutenberg-Universität Mainz在 uni-mainz.de 的电子邮件经过验证
