| Basis-set convergence of correlated calculations on water T Helgaker, W Klopper, H Koch, J Noga The Journal of chemical physics 106 (23), 9639-9646, 1997 | 2757 | 1997 |
| Basis-set convergence in correlated calculations on Ne, N2, and H2O A Halkier, T Helgaker, P Jørgensen, W Klopper, H Koch, J Olsen, ... Chemical Physics Letters 286 (3-4), 243-252, 1998 | 2338 | 1998 |
| The second-order approximate coupled cluster singles and doubles model CC2 O Christiansen, H Koch, P Jørgensen Chemical Physics Letters 243 (5-6), 409-418, 1995 | 1950 | 1995 |
| 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 | 1472 | 2014 |
| Coupled cluster response functions H Koch, P Jørgensen The Journal of chemical physics 93 (5), 3333, 1990 | 1227 | 1990 |
| Excitation energies from the coupled cluster singles and doubles linear response function (CCSDLR). Applications to Be, CH + , CO, and H2O H Koch, HJA Jensen, P Jørgensen, T Helgaker Journal of Chemical Physics 93 (5), 3345-3350, 1990 | 627 | 1990 |
| Response functions in the CC3 iterative triple excitation model O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 103 (17), 7429-7441, 1995 | 605 | 1995 |
| The CC3 model: An iterative coupled cluster approach including connected triples H Koch, O Christiansen, AM Sanchez de Merás, T Helgaker The Journal of chemical physics 106 (5), 1808-1818, 1997 | 513 | 1997 |
| Reduced scaling in electronic structure calculations using Cholesky decompositions H Koch, A Sánchez de Merás, TB Pedersen The Journal of chemical physics 118 (21), 9481-9484, 2003 | 497 | 2003 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 351 | 2001 |
| Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions J Olsen, P Jo/rgensen, H Koch, A Balkova, RJ Bartlett The Journal of chemical physics 104 (20), 8007-8015, 1996 | 307 | 1996 |
| Excitation energies of BH, CH2 and Ne in full configuration interaction and the hierarchy CCS, CC2, CCSD and CC3 of coupled cluster models H Koch, O Christiansen, P Jørgensen, J Olsen Chemical physics letters 244 (1-2), 75-82, 1995 | 294 | 1995 |
| Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications H Koch, HJ Jensen, T Helgaker, GE Scuseria, HF Schaefer The Journal of chemical physics 92 (8), 4924-4940, 1990 | 284 | 1990 |
| Calculation of size‐intensive transition moments from the coupled cluster singles and doubles linear response function H Koch, R Kobayashi, A Sanchez de Merás, P Jo/rgensen The Journal of chemical physics 100 (6), 4393-4400, 1994 | 266 | 1994 |
| Surprising cases of divergent behavior in Mo/ller–Plesset perturbation theory J Olsen, O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 105 (12), 5082-5090, 1996 | 262 | 1996 |
| Excitation energies of H2O, N2 and C2 in full configuration interaction and coupled cluster theory O Christiansen, H Koch, P Jørgensen, J Olsen Chemical physics letters 256 (1-2), 185-194, 1996 | 262 | 1996 |
| Perturbative triple excitation corrections to coupled cluster singles and doubles excitation energies O Christiansen, H Koch, P Jo/rgensen The Journal of chemical physics 105 (4), 1451-1459, 1996 | 260 | 1996 |
| Integral-direct coupled cluster calculations of frequency-dependent polarizabilities, transition probabilities and excited-state properties O Christiansen, A Halkier, H Koch, T Helgaker The Journal of chemical physics 108 (7), 2801-2816, 1998 | 233 | 1998 |
| A systematic ab initio study of the water dimer in hierarchies of basis sets and correlation models A Halkier, H Koch, P Jørgensen, O Christiansen, IMB Nielsen, T Helgaker Theoretical Chemistry Accounts 97, 150-157, 1997 | 232 | 1997 |
| Communication: X-ray absorption spectra and core-ionization potentials within a core-valence separated coupled cluster framework S Coriani, H Koch The Journal of Chemical Physics 143 (18), 2015 | 229 | 2015 |