| 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 | 1465 | 2014 |
| The accurate determination of molecular equilibrium structures KL Bak, J Gauss, P Jørgensen, J Olsen, T Helgaker, JF Stanton The Journal of Chemical Physics 114 (15), 6548-6556, 2001 | 415 | 2001 |
| DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 351 | 2001 |
| Vibrational Raman optical activity calculations using London atomic orbitals T Helgaker, K Ruud, KL Bak, P Jørgensen, J Olsen Faraday Discussions 99, 165-180, 1994 | 288 | 1994 |
| Multiconfigurational self‐consistent field calculations of nuclear shieldings using London atomic orbitals K Ruud, T Helgaker, R Kobayashi, P Jo/rgensen, KL Bak, HJA Jensen The Journal of chemical physics 100 (11), 8178-8185, 1994 | 276 | 1994 |
| Molecular equilibrium structures from experimental rotational constants and calculated vibration–rotation interaction constants F Pawłowski, P Jørgensen, J Olsen, F Hegelund, T Helgaker, J Gauss, ... The Journal of chemical physics 116 (15), 6482-6496, 2002 | 275 | 2002 |
| Accuracy of atomization energies and reaction enthalpies in standard and extrapolated electronic wave function/basis set calculations KL Bak, P Jørgensen, J Olsen, T Helgaker, W Klopper The Journal of Chemical Physics 112 (21), 9229-9242, 2000 | 261 | 2000 |
| Hartree–Fock limit magnetizabilities from London orbitals K Ruud, T Helgaker, KL Bak, P Jo/rgensen, HJA Jensen The Journal of chemical physics 99 (5), 3847-3859, 1993 | 257 | 1993 |
| Highly accurate calculations of molecular electronic structure W Klopper, KL Bak, P Jørgensen, J Olsen, T Helgaker Journal of Physics B: Atomic, Molecular and Optical Physics 32 (13), R103, 1999 | 251 | 1999 |
| Gauge‐origin independent multiconfigurational self‐consistent‐field theory for vibrational circular dichroism KL Bak, T Helgaker, K Ruud, HJ Jensen The Journal of chemical physics 98 (11), 8873-8887, 1993 | 216 | 1993 |
| Ab initio calculation of electronic circular dichroism fortrans-cyclooctene using London atomic orbitals KL Bak, AE Hansen, K Ruud, T Helgaker, J Olsen, P Jørgensen Theoretica chimica acta 90, 441-458, 1995 | 165 | 1995 |
| Atomic integral driven second order polarization propagator calculations of the excitation spectra of naphthalene and anthracene KL Bak, H Koch, J Oddershede, O Christiansen, SPA Sauer The Journal of Chemical Physics 112 (9), 4173-4185, 2000 | 152 | 2000 |
| Ab initio calculation of the electronic spectrum of azobenzene dyes and its impact on the design of optical data storage materials PO Åstrand, PS Ramanujam, S Hvilsted, KL Bak, SPA Sauer Journal of the American Chemical Society 122 (14), 3482-3487, 2000 | 133 | 2000 |
| Accurate magnetizabilities of the isoelectronic series BeH−, BH, and CH+. The MCSCF-GIAO approach K Ruud, T Helgaker, KL Bak, P Jørgensen, J Olsen Chemical physics 195 (1-3), 157-169, 1995 | 94 | 1995 |
| Magnetizability of hydrocarbons K Ruud, H Skaane, T Helgaker, KL Bak, P Joergensen Journal of the American Chemical Society 116 (22), 10135-10140, 1994 | 93 | 1994 |
| Orbital connections for perturbation-dependent basis sets J Olsen, KL Bak, K Ruud, T Helgaker, P Jørgensen Theoretica chimica acta 90, 421-439, 1995 | 87 | 1995 |
| Accuracy of spectroscopic constants of diatomic molecules from ab initio calculations F Pawłowski, A Halkier, P Jørgensen, KL Bak, T Helgaker, W Klopper The Journal of chemical physics 118 (6), 2539-2549, 2003 | 85 | 2003 |
| The accuracy of molecular dipole moments in standard electronic structure calculations KL Bak, J Gauss, T Helgaker, P Jørgensen, J Olsen Chemical Physics Letters 319 (5-6), 563-568, 2000 | 80 | 2000 |
| Dalton, an ab initio electronic structure program, Release 1.0 (1997) T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... See http://www. kjemi. uio. no/software/dalton/dalton. html, 1997 | 79 | 1997 |
| DALTON, an electronic structure program, Release 1.2 T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... University of Oslo, Norway, 1999 | 77 | 1999 |
