The Dalton 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 | 1443* | 2014 |
Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces J Olsen, BO Roos, P Jørgensen, HJA Jensen The Journal of chemical physics 89 (4), 2185, 1988 | 1140 | 1988 |
DALTON, release 1.2 (2001), a molecular electronic structure program T Helgaker, HJA Jensen, J Olsen, K Ruud, H Agren, AA Auer, KL Bak, ... | 683* | 2001 |
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 The Journal of Chemical Physics 93 (5), 3345-3350, 1990 | 620 | 1990 |
Integration of the classical equations of motion on ab initio molecular potential energy surfaces using gradients and Hessians: application to translational energy release upon … T Helgaker, E Uggerud, HJA Jensen Chemical Physics Letters 173 (2-3), 145-150, 1990 | 326 | 1990 |
Coupled cluster energy derivatives. Analytic Hessian for the closed‐shell coupled cluster singles and doubles wave function: Theory and applications H Koch, HJA Jensen, P Jørgensen, T Helgaker, GE Scuseria, ... The Journal of Chemical Physics 92, 4924, 1990 | 276 | 1990 |
Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals K Ruud, T Helgaker, R Kobayashi, P Jørgensen, KL Bak, HJA Jensen The Journal of chemical physics 100, 8178, 1994 | 274 | 1994 |
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 | 272 | 2020 |
Hartree–Fock limit magnetizabilities from London orbitals K Ruud, T Helgaker, KL Bak, P Jørgensen, HJA Jensen The Journal of chemical physics 99 (5), 3847, 1993 | 252 | 1993 |
Linear response calculations for large scale multiconfiguration self‐consistent field wave functions P Jørgensen, HJA Jensen, J Olsen The Journal of chemical physics 89, 3654, 1988 | 250 | 1988 |
A multiconfigurational self‐consistent reaction‐field method KV Mikkelsen, H Ågren, HJA Jensen, T Helgaker The Journal of chemical physics 89, 3086, 1988 | 246 | 1988 |
On the origin and contribution of the diamagnetic term in four-component relativistic calculations of magnetic properties GA Aucar, T Saue, L Visscher, HJ Jensen The Journal of chemical physics 110 (13), 6208-6218, 1999 | 244 | 1999 |
Nonlinear response theory with relaxation: The first-order hyperpolarizability P Norman, DM Bishop, HJA Jensen, J Oddershede The Journal of chemical physics 123 (19), 2005 | 235 | 2005 |
Solution of the large matrix equations which occur in response theory J Olsen, HJA Jensen, P Jørgensen Journal of Computational Physics 74 (2), 265-282, 1988 | 235 | 1988 |
Near-resonant absorption in the time-dependent self-consistent field and multiconfigurational self-consistent field approximations P Norman, DM Bishop, HJA Jensen, J Oddershede The Journal of Chemical Physics 115, 10323, 2001 | 234 | 2001 |
Quadratic response functions for a multiconfigurational self‐consistent field wave function H Hettema, HJA Jensen, P Jørgensen, J Olsen The Journal of chemical physics 97, 1174, 1992 | 230 | 1992 |
Full four‐component relativistic calculations of NMR shielding and indirect spin–spin coupling tensors in hydrogen halides L Visscher, T Enevoldsen, T Saue, HJA Jensen, J Oddershede Journal of computational chemistry 20 (12), 1262-1273, 1999 | 229 | 1999 |
Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism KL Bak, P Jørgensen, T Helgaker, K Ruud, HJA Jensen The Journal of chemical physics 98, 8873, 1993 | 215 | 1993 |
A new implementation of the second‐order polarization propagator approximation (SOPPA): The excitation spectra of benzene and naphthalene MJ Packer, EK Dalskov, T Enevoldsen, HJA Jensen, J Oddershede The Journal of chemical physics 105, 5886, 1996 | 209 | 1996 |
On the universality of the long-/short-range separation in multiconfigurational density-functional theory E Fromager, J Toulouse, HJA Jensen The Journal of chemical physics 126 (7), 2007 | 203 | 2007 |