Janus Juul Eriksen
Janus Juul Eriksen
Assistant Professor, Villum Young Investigator, Technical University of Denmark
Verified email at kemi.dtu.dk - Homepage
Title
Cited by
Cited by
Year
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
941*2014
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
692013
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
672015
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, 4633–4639, 2017
482017
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
352012
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
322020
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
282014
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
272018
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
242011
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
212019
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
182015
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, 194102, 2016
172016
Assessment of the Accuracy of Coupled Cluster Perturbation Theory for Open-Shell Systems. II. Quadruples Expansions
JJ Eriksen, DA Matthews, P Jørgensen, J Gauss
The Journal of Chemical Physics 144, 194103, 2016
17*2016
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, 8922-8929, 2020
152020
Generalized Many-Body Expanded Full Configuration Interaction Theory
JJ Eriksen, J Gauss
The Journal of Physical Chemistry Letters 10, 7910-7915, 2019
152019
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
152014
The Same Number of Optimized Parameters Scheme for Determining Intermolecular Interaction Energies
K Kristensen, P Ettenhuber, JJ Eriksen, F Jensen, P Jørgensen
The Journal of Chemical Physics 142 (11), 114116, 2015
122015
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
112017
A View on Coupled Cluster Perturbation Theory Using a Bivariational Lagrangian Formulation
K Kristensen, JJ Eriksen, DA Matthews, J Olsen, P Jørgensen
The Journal of Chemical Physics 144 (6), 064103, 2016
102016
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
92016
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