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Jógvan Magnus Haugaard Olsen
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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
1427*2014
Excited states in solution through polarizable embedding
JM Olsen, K Aidas, J Kongsted
Journal of Chemical Theory and Computation 6 (12), 3721-3734, 2010
3452010
The DIRAC code for relativistic molecular calculations
T Saue, R Bast, ASP Gomes, HJA Jensen, L Visscher, IA Aucar, ...
The Journal of Chemical Physics 152 (20), 204104, 2020
2522020
Molecular properties through polarizable embedding
JMH Olsen, J Kongsted
Adv. Quantum Chem 61, 107-143, 2011
214*2011
Excited states in large molecular systems through polarizable embedding
NH List, JMH Olsen, J Kongsted
Physical Chemistry Chemical Physics 18 (30), 20234-20250, 2016
982016
Polarizable density embedding: A new QM/QM/MM-based computational strategy
JMH Olsen, C Steinmann, K Ruud, J Kongsted
The Journal of Physical Chemistry A 119 (21), 5344-5355, 2015
982015
PERI–CC2: A Polarizable Embedded RI-CC2 Method
T Schwabe, K Sneskov, JMH Olsen, J Kongsted, O Christiansen, ...
Journal of Chemical Theory and Computation 8 (9), 3274-3283, 2012
922012
Solvation effects on electronic transitions: Exploring the performance of advanced solvent potentials in polarizable embedding calculations
T Schwabe, JMH Olsen, K Sneskov, J Kongsted, O Christiansen
Journal of Chemical Theory and Computation 7 (7), 2209-2217, 2011
882011
A combined quantum mechanics/molecular mechanics study of the one-and two-photon absorption in the green fluorescent protein
AH Steindal, JMH Olsen, K Ruud, L Frediani, J Kongsted
Physical Chemistry Chemical Physics 14 (16), 5440-5451, 2012
822012
Quantifying electron transfer reactions in biological systems: what interactions play the major role?
E Sjulstok, JMH Olsen, IA Solov’yov
Scientific Reports 5 (1), 1-11, 2015
802015
Solvatochromic shifts in uracil: a combined MD-QM/MM study
JM Olsen, K Aidas, KV Mikkelsen, J Kongsted
Journal of Chemical Theory and Computation 6 (1), 249-256, 2010
712010
Polarizable density embedding: A solution to the electron spill-out problem in multiscale modeling
P Reinholdt, J Kongsted, JMH Olsen
The Journal of Physical Chemistry Letters 8 (23), 5949-5958, 2017
652017
Damped response theory in combination with polarizable environments: The polarizable embedding complex polarization propagator method
MN Pedersen, ED Hedegård, JMH Olsen, J Kauczor, P Norman, ...
Journal of Chemical Theory and Computation 10 (3), 1164-1171, 2014
622014
Dalton Project: A Python platform for molecular-and electronic-structure simulations of complex systems
JMH Olsen, S Reine, O Vahtras, E Kjellgren, P Reinholdt, ...
The Journal of Chemical Physics 152 (21), 214115, 2020
592020
Accuracy of protein embedding potentials: An analysis in terms of electrostatic potentials
JMH Olsen, NH List, K Kristensen, J Kongsted
Journal of Chemical Theory and Computation 11 (4), 1832-1842, 2015
572015
Molecular-level insight into the spectral tuning mechanism of the DsRed chromophore
NH List, JMH Olsen, HJA Jensen, AH Steindal, J Kongsted
The Journal of Physical Chemistry Letters 3 (23), 3513-3521, 2012
562012
Performance of popular XC‐functionals for the description of excitation energies in GFP‐like chromophore models
NH List, JM Olsen, T Rocha‐Rinza, O Christiansen, J Kongsted
International Journal of Quantum Chemistry 112 (3), 789-800, 2012
562012
A polarizable embedding DFT study of one-photon absorption in fluorescent proteins
MTP Beerepoot, AH Steindal, J Kongsted, BO Brandsdal, L Frediani, ...
Physical Chemistry Chemical Physics 15 (13), 4735-4743, 2013
552013
Analysis of computational models for an accurate study of electronic excitations in GFP
T Schwabe, MTP Beerepoot, JMH Olsen, J Kongsted
Physical Chemistry Chemical Physics 17 (4), 2582-2588, 2015
532015
Response properties of embedded molecules through the polarizable embedding model
C Steinmann, P Reinholdt, MS Nørby, J Kongsted, JMH Olsen
International Journal of Quantum Chemistry 119 (1), e25717, 2019
482019
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Artiklar 1–20