Articles with public access mandates - Hans Jørgen Aagaard JensenLearn more
Not available anywhere: 10
Local electric fields and molecular properties in heterogeneous environments through polarizable embedding
NH List, HJA Jensen, J Kongsted
Physical Chemistry Chemical Physics 18 (15), 10070-10080, 2016
Mandates: Danish Council for Independent Research, Villum Foundation
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
Mandates: Danish Council for Technology and Innovation
The multi-configuration self-consistent field method within a polarizable embedded framework
ED Hedegård, NH List, HJA Jensen, J Kongsted
The Journal of chemical physics 139 (4), 044101, 2013
Mandates: Danish Council for Technology and Innovation
Investigation of multiconfigurational short-range density functional theory for electronic excitations in organic molecules
M Hubert, ED Hedegard, HJA Jensen
Journal of chemical theory and computation 12 (5), 2203-2213, 2016
Mandates: Danish Council for Independent Research, Villum Foundation
Correlated four-component EPR g-tensors for doublet molecules
MS Vad, MN Pedersen, A Nørager, HJA Jensen
The Journal of Chemical Physics 138 (21), 2013
Mandates: Danish Council for Independent Research
Excitation spectra of nucleobases with multiconfigurational density functional theory
M Hubert, HJA Jensen, ED Hedegård
The Journal of Physical Chemistry A 120 (1), 36-43, 2016
Mandates: Danish Council for Independent Research, Villum Foundation
Relativistic polarizable embedding
ED Hedegård, R Bast, J Kongsted, JMH Olsen, HJA Jensen
Journal of Chemical Theory and Computation 13 (6), 2870-2880, 2017
Mandates: Danish Council for Independent Research, Villum Foundation
A Unified Framework for the Polarizable Embedding and Continuum Methods Within Multiconfigurational Self-consistent Field Theory
NH List, HJA Jensen, J Kongsted, ED Hedegård
Advances in Quantum Chemistry 66, 195, 2013
Mandates: Danish Council for Independent Research
Multipole moments for embedding potentials: Exploring different atomic allocation algorithms
M S. Nørby, J Magnus Haugaard Olsen, J Kongsted, HJ Aagard Jensen
Journal of Computational Chemistry 37 (20), 1887-1896, 2016
Mandates: Danish Council for Independent Research, Villum Foundation
Multiconfigurational SCF and Short-Range DFT Combined with Polarizable Density Embedding: Comparison of Linear-Response and State-Specific Solvatochromic Shifts of Acrolein and …
W Van den Heuvel, P Reinholdt, HJA Jensen, J Kongsted
Journal of Chemical Theory and Computation 18 (10), 6231-6239, 2022
Mandates: Danish Council for Independent Research
Available somewhere: 31
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), 2020
Mandates: German Research Foundation, Villum Foundation, Netherlands Organisation for …
DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science
AM Teale, T Helgaker, A Savin, C Adamo, B Aradi, AV Arbuznikov, ...
Physical chemistry chemical physics 24 (47), 28700-28781, 2022
Mandates: US National Science Foundation, US Department of Energy, US National …
The generalized active space concept for the relativistic treatment of electron correlation. III. Large-scale configuration interaction and multiconfiguration self-consistent …
T Fleig, HJA Jensen, J Olsen, L Visscher
The Journal of chemical physics 124 (10), 2006
Mandates: German Research Foundation
Large-scale parallel configuration interaction. II. Two-and four-component double-group general active space implementation with application to BiH
S Knecht, HJA Jensen, T Fleig
The Journal of chemical physics 132 (1), 2010
Mandates: German Research Foundation
Density matrix renormalization group with efficient dynamical electron correlation through range separation
ED Hedegård, S Knecht, JS Kielberg, HJA Jensen, M Reiher
The Journal of chemical physics 142 (22), 2015
Mandates: Swiss National Science Foundation, Danish Council for Independent Research
Multi-configuration time-dependent density-functional theory based on range separation
E Fromager, S Knecht, HJA Jensen
The Journal of Chemical Physics 138 (8), 2013
Mandates: Danish Council for Independent Research
A direct relativistic four-component multiconfiguration self-consistent-field method for molecules
J Thyssen, T Fleig, HJA Jensen
The Journal of chemical physics 129 (3), 2008
Mandates: German Research Foundation
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
Mandates: Danish Council for Technology and Innovation
Beyond the electric-dipole approximation: A formulation and implementation of molecular response theory for the description of absorption of electromagnetic field radiation
NH List, J Kauczor, T Saue, HJA Jensen, P Norman
The Journal of chemical physics 142 (24), 2015
Mandates: Danish Council for Independent Research, Swedish Research Council
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), 2020
Mandates: US Department of Energy, Danish Council for Independent Research, Swedish …
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