Molecular electronic-structure theory T Helgaker, P Jorgensen, J Olsen John Wiley & Sons, 2013 | 4086 | 2013 |

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 | 2242 | 1998 |

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 | 1242 | 2014 |

Linear and nonlinear response functions for an exact state and for an MCSCF state J Olsen, P Jo/rgensen The Journal of chemical physics 82 (7), 3235-3264, 1985 | 1157 | 1985 |

Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces J Olsen, BO Roos, HJ Jensen The Journal of chemical physics 89 (4), 2185-2192, 1988 | 1097 | 1988 |

Basis-set convergence of the energy in molecular Hartree–Fock calculations A Halkier, T Helgaker, P Jørgensen, W Klopper, J Olsen Chemical Physics Letters 302 (5-6), 437-446, 1999 | 694 | 1999 |

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, 2012 | 616 | 2012 |

MOLCAS Version 5.4 K Andersson, M Barysz, A Bernhardsson, MRA Blomberg, DL Cooper, ... Lund University, Sweden 23, 2002 | 519 | 2002 |

Passing the one-billion limit in full configuration-interaction (FCI) calculations J Olsen, P Jørgensen, J Simons Chemical Physics Letters 169 (6), 463-472, 1990 | 446 | 1990 |

The prediction of molecular equilibrium structures by the standard electronic wave functions T Helgaker, J Gauss, P Jo/rgensen, J Olsen The Journal of chemical physics 106 (15), 6430-6440, 1997 | 402 | 1997 |

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 | 398 | 2001 |

Multiconfiguration pair-density functional theory G Li Manni, RK Carlson, S Luo, D Ma, J Olsen, DG Truhlar, L Gagliardi Journal of chemical theory and computation 10 (9), 3669-3680, 2014 | 355 | 2014 |

DALTON, a molecular electronic structure program T Helgaker, HJA Jensen, P Jørgensen, J Olsen, K Ruud, H Ågren, ... Release 1, 63, 2001 | 307 | 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 | 295 | 1996 |

Transition probability calculations for atoms using nonorthogonal orbitals J Olsen, MR Godefroid, P Jönsson, PÅ Malmqvist, CF Fischer Physical Review E 52 (4), 4499, 1995 | 291 | 1995 |

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 | 286 | 1995 |

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 | 276 | 1994 |

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 | 259 | 1996 |

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 | 255 | 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 | 254 | 2000 |