Janus Juul Eriksen
Janus Juul Eriksen
Independent Research Fund Denmark (IRFD) postdoctoral fellow, University of Bristol
Email verificata su bristol.ac.uk - Home page
Titolo
Citata da
Citata da
Anno
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
883*2014
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
642015
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
622013
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
342017
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
322012
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
272014
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
232011
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
172018
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
172015
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
162020
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
162016
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
16*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
152014
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
122019
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
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
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
82017
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
82016
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
82015
Generalized Many-Body Expanded Full Configuration Interaction Theory
JJ Eriksen, J Gauss
The Journal of Physical Chemistry Letters 10, 7910-7915, 2019
72019
Il sistema al momento non può eseguire l'operazione. Riprova più tardi.
Articoli 1–20