Artykuły udostępnione publicznie: - Janus Juul EriksenWięcej informacji
Niedostępne w żadnym miejscu: 2
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
Upoważnienia: US Department of Energy, Danish Council for Independent Research, European …
Incrementally Accelerating the RI-MP2 Correlated Method of Electronic Structure Theory Using OpenACC Compiler Directives
JJ Eriksen
Parallel Programming with OpenACC, 2016
Upoważnienia: US Department of Energy, European Commission
Dostępne w jakimś miejscu: 29
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
Upoważnienia: US National Science Foundation, US Department of Energy, Swiss National …
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
Upoważnienia: US National Science Foundation, US Department of Energy, US Department of …
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
Upoważnienia: Danish Council for Technology and Innovation
The Shape of Full Configuration Interaction to Come
JJ Eriksen
The Journal of Physical Chemistry Letters 12 (1), 418-432, 2021
Upoważnienia: Danish Council for Independent Research, Carlsberg Foundation DK
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
Upoważnienia: German Research Foundation, Danish Council for Independent Research …
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
Upoważnienia: Danish Council for Technology and Innovation
Generalized Many-Body Expanded Full Configuration Interaction Theory
JJ Eriksen, J Gauss
The Journal of Physical Chemistry Letters 10, 7910-7915, 2019
Upoważnienia: Danish Council for Independent Research
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
Upoważnienia: German Research Foundation, Danish Council for Independent Research …
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
Upoważnienia: German Research Foundation, Danish Council for Independent Research …
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
Upoważnienia: US Department of Energy, European Commission
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
Upoważnienia: German Research Foundation, Danish Council for Independent Research …
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
Upoważnienia: US National Science Foundation, German Research Foundation, Danish Council …
Incremental Treatments of the Full Configuration Interaction Problem
JJ Eriksen, J Gauss
Wiley Interdisciplinary Reviews: Computational Molecular Science 11 (5), e1525, 2021
Upoważnienia: Danish Council for Independent Research
Ground and Excited State First-Order Properties in Many-Body Expanded Full Configuration Interaction Theory
JJ Eriksen, J Gauss
The Journal of Chemical Physics 145 (22), 224104, 2020
Upoważnienia: Danish Council for Independent Research
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
Upoważnienia: US National Science Foundation, Danish Council for Independent Research …
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
Upoważnienia: US Department of Energy, Danish Council for Independent Research, European …
Mean-Field Density Matrix Decompositions
JJ Eriksen
The Journal of Chemical Physics 153 (21), 214109, 2020
Upoważnienia: Danish Council for Independent Research
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 (19), 194103, 2016
Upoważnienia: US National Science Foundation, German Research Foundation, European Commission
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