| 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 | 1148* | 2014 |
| Linear scaling coupled cluster method with correlation energy based error control M Ziółkowski, B Jansík, T Kjærgaard, P Jørgensen The Journal of chemical physics 133 (1), 014107, 2010 | 155 | 2010 |
| A locality analysis of the divide–expand–consolidate coupled cluster amplitude equations K Kristensen, M Ziółkowski, B Jansík, T Kjærgaard, P Jørgensen Journal of Chemical Theory and Computation 7 (6), 1677-1694, 2011 | 95 | 2011 |
| Variational and robust density fitting of four-center two-electron integrals in local metrics S Reine, E Tellgren, A Krapp, T Kjærgaard, T Helgaker, B Jansik, S Høst, ... The Journal of chemical physics 129 (10), 104101, 2008 | 95 | 2008 |
| 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 | 78 | 2015 |
| Quasienergy formulation of damped response theory K Kristensen, J Kauczor, T Kjærgaard, P Jørgensen The Journal of chemical physics 131 (4), 044112, 2009 | 63 | 2009 |
| Attractive electron–electron interactions within robust local fitting approximations P Merlot, T Kjærgaard, T Helgaker, R Lindh, F Aquilante, S Reine, ... Journal of Computational Chemistry 34 (17), 1486-1496, 2013 | 62 | 2013 |
| MP2 energy and density for large molecular systems with internal error control using the Divide-Expand-Consolidate scheme K Kristensen, IM Høyvik, B Jansik, P Jørgensen, T Kjærgaard, S Reine, ... Physical Chemistry Chemical Physics 14 (45), 15706-15714, 2012 | 58 | 2012 |
| Molecular gradient for second-order Møller-Plesset perturbation theory using the divide-expand-consolidate (DEC) scheme K Kristensen, P Jørgensen, B Jansík, T Kjærgaard, S Reine The Journal of Chemical Physics 137 (11), 114102, 2012 | 53 | 2012 |
| Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling T Kjærgaard, P Jørgensen, J Olsen, S Coriani, T Helgaker The Journal of chemical physics 129 (5), 054106, 2008 | 52 | 2008 |
| The divide–expand–consolidate MP2 scheme goes massively parallel K Kristensen, T Kjærgaard, IM Høyvik, P Ettenhuber, P Jørgensen, ... Molecular Physics 111 (9-11), 1196-1210, 2013 | 47 | 2013 |
| Damped response theory description of two-photon absorption K Kristensen, J Kauczor, AJ Thorvaldsen, P Jørgensen, T Kjærgaard, ... The Journal of chemical physics 134 (21), 214104, 2011 | 46 | 2011 |
| 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 | 44 | 2016 |
| Gauge-Origin Independent Formulation and Implementation of Magneto-Optical Activity within Atomic-Orbital-Density Based Hartree− Fock and Kohn− Sham Response Theories T Kjaergaard, P Jørgensen, AJ Thorvaldsen, P Sałek, S Coriani Journal of Chemical Theory and Computation 5 (8), 1997-2020, 2009 | 41 | 2009 |
| 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 | 39 | 2014 |
| The divide–expand–consolidate coupled cluster scheme T Kjærgaard, P Baudin, D Bykov, K Kristensen, P Jørgensen Wiley Interdisciplinary Reviews: Computational Molecular Science 7 (6), e1319, 2017 | 33 | 2017 |
| Gauge-origin-independent coupled cluster singles and doubles calculation of magnetic circular dichroism of azabenzenes and phosphabenzene using London orbitals T Kjærgaard, B Jansík, P Jørgensen, S Coriani, J Michl The Journal of Physical Chemistry A 111 (44), 11278-11286, 2007 | 31 | 2007 |
| An atomic-orbital-based Lagrangian approach for calculating geometric gradients of linear response properties S Coriani, T Kjærgaard, P Jørgensen, K Ruud, J Huh, R Berger Journal of Chemical Theory and Computation 6 (4), 1028-1047, 2010 | 28 | 2010 |
| Ab initio calculation of magnetic circular dichroism T Kjærgaard, S Coriani, K Ruud Wiley Interdisciplinary Reviews: Computational Molecular Science 2 (3), 443-455, 2012 | 27 | 2012 |
| Density-based multilevel Hartree–Fock model S Sæther, T Kjærgaard, H Koch, IM Høyvik Journal of Chemical Theory and Computation 13 (11), 5282-5290, 2017 | 22 | 2017 |
Kasper KristensenPost Doc, Aarhus UniversityVerified email at chem.au.dk
