Erik Donovan Hedegård
Erik Donovan Hedegård
Post doc at Lund University
Verified email at teokem.lu.se
Title
Cited by
Cited by
Year
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), 224108, 2015
732015
New approaches for ab initio calculations of molecules with strong electron correlation
S Knecht, ED Hedegård, S Keller, A Kovyrshin, Y Ma, A Muolo, CJ Stein, ...
arXiv preprint arXiv:1512.09267, 2015
702015
Optimized basis sets for calculation of electron paramagnetic resonance hyperfine coupling constants: aug-cc-pVTZ-J for the 3d Atoms Sc–Zn
ED Hedegård, J Kongsted, SPA Sauer
Journal of chemical theory and computation 7 (12), 4077-4087, 2011
522011
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
452014
Molecular mechanism of lytic polysaccharide monooxygenases
ED Hedegård, U Ryde
Chemical science 9 (15), 3866-3880, 2018
402018
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
392013
Assessment of charge-transfer excitations with time-dependent, range-separated density functional theory based on long-range MP2 and multiconfigurational self-consistent field …
ED Hedegård, F Heiden, S Knecht, E Fromager, HJA Jensen
The Journal of chemical physics 139 (18), 184308, 2013
372013
Basis set recommendations for DFT calculations of gas-phase optical rotation at different wavelengths
ED Hedegård, F Jensen, J Kongsted
Journal of chemical theory and computation 8 (11), 4425-4433, 2012
292012
Targeting the reactive intermediate in polysaccharide monooxygenases
ED Hedegård, U Ryde
JBIC Journal of Biological Inorganic Chemistry 22 (7), 1029-1037, 2017
282017
Polarizable embedding with a multiconfiguration short-range density functional theory linear response method
ED Hedegård, JMH Olsen, S Knecht, J Kongsted, HJA Jensen
The Journal of Chemical Physics 142 (11), 114113, 2015
232015
Improving the calculation of electron paramagnetic resonance hyperfine coupling tensors for d-block metals
ED Hedegård, J Kongsted, SPA Sauer
Physical Chemistry Chemical Physics 14 (30), 10669-10676, 2012
232012
Validating and analyzing EPR hyperfine coupling constants with density functional theory
ED Hedegård, J Kongsted, SPA Sauer
Journal of Chemical Theory and Computation 9 (5), 2380-2388, 2013
222013
Mechanism of hydrogen peroxide formation by lytic polysaccharide monooxygenase
O Caldararu, E Oksanen, U Ryde, ED Hedegård
Chemical science 10 (2), 576-586, 2019
192019
Investigation of multiconfigurational short-range density functional theory for electronic excitations in organic molecules
M Hubert, ED Hedegård, HJA Jensen
Journal of Chemical Theory and Computation 12 (5), 2203-2213, 2016
192016
Partial charges as reactivity descriptors for nitrido complexes
ED Hedegård, J Bendix, SPA Sauer
Journal of Molecular Structure: THEOCHEM 913 (1-3), 1-7, 2009
182009
Multiconfigurational short-range density-functional theory for open-shell systems
ED Hedegård, J Toulouse, HJA Jensen
The Journal of chemical physics 148 (21), 214103, 2018
162018
Multiscale modelling of lytic polysaccharide monooxygenases
ED Hedegard, U Ryde
ACS omega 2 (2), 536-545, 2017
162017
Polarizable embedding density matrix renormalization group
ED Hedegård, M Reiher
Journal of chemical theory and computation 12 (9), 4242-4253, 2016
162016
[Cr (N)(acac) 2]: A simple chromium nitride complex and its reactivity towards late transition metals
ED Hedegaard, M Schau-Magnussen, J Bendix
Inorganic Chemistry Communications 14 (5), 719-721, 2011
162011
Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory
B Senjean, ED Hedegård, MM Alam, S Knecht, E Fromager
Molecular Physics 114 (7-8), 968-981, 2016
152016
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Articles 1–20