| 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 | 1459* | 2014 |
| Recent advances in wave function-based methods of molecular-property calculations T Helgaker, S Coriani, P Jørgensen, K Kristensen, J Olsen, K Ruud Chemical reviews 112 (1), 543-631, 2012 | 700 | 2012 |
| A density matrix-based quasienergy formulation of the Kohn–Sham density functional response theory using perturbation-and time-dependent basis sets AJ Thorvaldsen, K Ruud, K Kristensen, P Jørgensen, S Coriani The Journal of chemical physics 129 (21), 2008 | 132 | 2008 |
| 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 | 102 | 2011 |
| Local orbitals by minimizing powers of the orbital variance B Jansík, S Høst, K Kristensen, P Jørgensen The Journal of chemical physics 134 (19), 2011 | 99 | 2011 |
| The divide-expand-consolidate family of coupled cluster methods: Numerical illustrations using second order Møller-Plesset perturbation theory IM Høyvik, K Kristensen, B Jansik, P Jørgensen The Journal of Chemical Physics 136 (1), 2012 | 96 | 2012 |
| 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 | 95 | 2015 |
| Basis set convergence of the binding energies of strongly hydrogen-bonded atmospheric clusters J Elm, K Kristensen Physical Chemistry Chemical Physics 19 (2), 1122-1133, 2017 | 86 | 2017 |
| Quasienergy formulation of damped response theory K Kristensen, J Kauczor, T Kjærgaard, P Jørgensen The Journal of chemical physics 131 (4), 2009 | 75 | 2009 |
| 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 | 72 | 2012 |
| 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 | 57 | 2015 |
| 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), 2012 | 57 | 2012 |
| 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), 2016 | 55 | 2016 |
| Electrostatic potential of insulin: exploring the limitations of density functional theory and force field methods S Jakobsen, K Kristensen, F Jensen Journal of chemical theory and computation 9 (9), 3978-3985, 2013 | 54 | 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), 2011 | 49 | 2011 |
| 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 | 48 | 2017 |
| 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), 2014 | 48 | 2014 |
| The divide–expand–consolidate MP2 scheme goes massively parallel K Kristensen, T Kjaergaard, IM Høyvik, P Ettenhuber, P Jørgensen, ... Molecular Physics 111 (9-11), 1196-1210, 2013 | 48 | 2013 |
| Efficient elimination of response parameters in molecular property calculations for variational and nonvariational energies K Kristensen, P Jørgensen, AJ Thorvaldsen, T Helgaker The Journal of chemical physics 129 (21), 2008 | 47 | 2008 |
| LoFEx - A local framework for calculating excitation energies: Illustrations using RI-CC2 linear response theory P Baudin, K Kristensen The Journal of Chemical Physics 144 (22), 224106, 2016 | 46 | 2016 |
Thomas KjærgaardPost Doc, qLEAP center for theoretical chemistry, Aarhus University在 chem.au.dk 的电子邮件经过验证
