Patrick Ettenhuber
Patrick Ettenhuber
QIAGEN
Verified email at chem.au.dk
Title
Cited by
Cited by
Year
The D alton 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
8312014
X-ray emission spectroscopy evidences a central carbon in the nitrogenase iron-molybdenum cofactor
KM Lancaster, M Roemelt, P Ettenhuber, Y Hu, MW Ribbe, F Neese, ...
Science 334 (6058), 974-977, 2011
6492011
Место установки программы:/opt/lib/dalton/Книги и статьи:• Aidas K., Angeli C., Bak KL The Dalton quantum chemistry program system.//Wires computational molecular science, 2014 …
K Aidas
science 4 (3), 269-284, 2014
1392014
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
632015
Wiley Interdiscip. Rev.: Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
47
The Divide-Expand-Consolidate MP2 scheme goes massively parallel
K Kristensen, T Kjærgaard, IM Høyvik, P Ettenhuber, P Jørgensen, ...
Molecular Physics, 2013
382013
Efficient linear-scaling second-order Møller-Plesset perturbation theory: The divide–expand–consolidate RI-MP2 model
P Baudin, P Ettenhuber, S Reine, K Kristensen, T Kjærgaard
The Journal of chemical physics 144 (5), 054102, 2016
302016
Orbital spaces in the divide-expand-consolidate coupled cluster method
P Ettenhuber, P Baudin, T Kjærgaard, P Jørgensen, K Kristensen
The Journal of Chemical Physics 144 (16), 164116, 2016
182016
WIREs Comput. Mol. Sci. 4, 269 (2014)
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
17
M.; de Merás
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
AS, 0
13
A local framework for calculating coupled cluster singles and doubles excitation energies (LoFEx-CCSD)
P Baudin, D Bykov, D Liakh, P Ettenhuber, K Kristensen
Molecular Physics 115 (17-18), 2135-2144, 2017
122017
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
H. gren, WIREs Comput
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
Mol. Sci 4, 269-284, 2014
112014
Discarding information from previous iterations in an optimal way to solve the coupled cluster amplitude equations
P Ettenhuber, P Jørgensen
Journal of chemical theory and computation 11 (4), 1518-1524, 2015
102015
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, 152-160, 2017
92017
Simen Reine, Zilvinas Rinkevicius, Torgeir a
K Aidas, C Angeli, KL Bak, V Bakken, R Bast, L Boman, O Christiansen, ...
32014
Science2011, 334, 974; b) T
KM Lancaster, M Roemelt, P Ettenhuber, Y Hu, MW Ribbe, F Neese, ...
Spatzal, M. Aksoyoglu, L. Zhang, SLA Andrade, E. Schleicher, S. Weber, DC …, 2011
32011
of Journal: Science
KM Lancaster, M Römelt, P Ettenhuber, Y Hu, MW Ribbe, F Neese, ...
Abbrev.: Science 334, 2011
12011
Size Matters: Enabling large-scale coupled cluster calculations
P Ettenhuber
2015
Chemical energy conversion in biology: Recent theoretical results on the active sites of nitrogenase and photosystem II
F Neese, D Pantazis, W Ames, V Krewald, M Romelt, P Ettenhuber, ...
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 242, 2011
2011
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Articles 1–20