Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. Journal article › Research › Peer-reviewed
  2. Published

    Cluster perturbation theory. IV. Convergence of cluster perturbation series for energies and molecular properties. / Pawlowski, Filip; Olsen, Jeppe; Jørgensen, Poul.

    In: The Journal of Chemical Physics, Vol. 150, No. 13, 134111, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  3. Published

    Cluster perturbation theory. V : Theoretical foundation for cluster linear target states. / Pawlowski, Filip; Olsen, Jeppe; Jørgensen, Poul.

    In: The Journal of Chemical Physics, Vol. 150, No. 13, 134112, 2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  4. Published

    Collecting all intermediates with an optimal scaling for the generalised-active-space coupled-cluster method with application to SbH. / Sørensen, Lasse Kragh; Olsen, Jeppe.

    In: Molecular Physics, Vol. 115, No. 1-2, 2017, p. 90-108.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  5. Published

    Comparison of full-configuration interaction and coupled-cluster harmonic and fundamental frequencies for BH and HF. / Larsen, H.; Olsen, J.; Jørgensen, P.; Gauss, J.

    In: Chem. Phys. Letters, Vol. 342, 2001, p. 200-206.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  6. Published

    Convergence of coupled cluster perturbation theory. / Eriksen, Janus Juul; Kristensen, Kasper; Matthews, Devin; Jørgensen, Poul; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 145, No. 22, 224104, 14.12.2016.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  7. Published

    Convergence patterns and rates in two-state perturbation expansions. / Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 151, No. 8, 084108, 08.2019.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  8. Published

    Coupled cluster theory in a projected atomic orbital basis. / Christiansen, Ove; Manninen, Pekka; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 124, 2006, p. 084103-1- 084103-9.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  9. Published

    Coupled-cluster connected quadruples and quintuples corrections to the harmonic vibrational frequencies and equilibrium bond distances of HF, N2, F2, and CO. / Ruden, T.A.; Helgaker, T.; Jørgensen, P.; Olsen, J.

    In: Journal of Chemical Physics, Vol. 121, No. 12, 2004, p. 5874-5884.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  10. Published

    Coupled-cluster connected-quadruples corrections to atomization energies. / Ruden, T.A.; Helgaker, T.; Jørgensen, P.; Olsen, J.

    In: Chemical Physics Letters, Vol. 371, 2003, p. 62-67.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  11. Published

    Coupled-cluster singles, doubles and triples (CCSDT) calculations of atomization energies. / Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe; Helgaker, T.; Gauss, J.

    In: Chemical Physics Letters, Vol. 317, No. 1-2, 2000, p. 116-122.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  12. Published

    Direct optimization of the atomic-orbital density matrix using the conjugate-gradient method with a multilevel preconditioner. / Larsen, H.; Olsen, J.; Jørgensen, P.; Helgaker, T.

    In: Journal of Chemical Physics, Vol. 115, 2001, p. 9685-9697.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  13. Published

    Dynamic correlation for non-orthogonal reference states : Improved perturbational and variational methods. / Kähler, Sven; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 149, No. 14, 144104, 14.10.2018.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  14. Published

    Equation-of-motion coupled cluster perturbation theory revisited. / Eriksen, Janus Juul; Jørgensen, Poul; Olsen, Jeppe; Gauss, Jürgen.

    In: Journal of Chemical Physics, Vol. 140, 2014, p. 174114.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  15. Published

    Equilibrium Geometry of the Ethynyl (CCH) Radical. / Szalay, P.G.; Thøgersen, L.S.; Olsen, J.; Kállay, M.; Gauss, J.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 108, 2004, p. 3030-3034.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  16. Published

    Equilibrium Geometry of the Ethynyl (CCH) Radical. / Szalay, Péter G.; Thøgersen, Lea Sander; Olsen, Jeppe; Kállay, M.; Gauss, Jürgen.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 108, 2004, p. 3030-3034.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  17. Published

    Excitation energies from relativistic coupled-cluster theory of general excitation rank: Initial implementation and application to the silicon atom and to the molecules XH (X = As, Sb, Bi). / Hubert, Mickael; Sørensen, Lasse Kragh; Olsen, Jeppe; Fleig, Timo.

    In: Physical Review A, Vol. 86, 2012, p. 012503.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  18. Published

    First-order nonadiabatic coupling matrix elements from multiconfigurational self-consistent-field response theory. / Bak, Keld Lars; Jørgensen, Poul; Jensen, Hans Jørgen Aa; Olsen, Jeppe; Helgaker, Trygve.

    In: The Journal of Chemical Physics, Vol. 97, No. 10, 1992, p. 7573-7584.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  19. Published

    Full configuration interaction benchmarking of coupled-cluster models for the lowest singlet energy surfaces of N2. / Larsen, Helena; Olsen, Jeppe; Jørgensen, Poul; Christiansen, O.

    In: Journal of Chemical Physics, Vol. 113, No. 16, 6677, 2000.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  20. Published

    General Active Space Commutator-Based Coupled Cluster Theory of General Excitation Rank for Electronically Excited States. Implementation and Application to ScH. / Hubert, Mickael ; Olsen, Jeppe; Loras, Jessica; Fleig, Timo.

    In: Journal of Chemical Physics, Vol. 139, 194106 , 11.2013.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  21. Published

    General biorthogonal projected bases as applied to second-order Møller-Plesset perturbation theory. / Weijo, Ville; Manninen, Pekka; Jørgensen, Poul; Christiansen, Ove; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 127, 2007, p. 074106.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  22. Published

    Generalising localisation schemes of orthogonal orbitals to the localisation of non-orthogonal orbitals. / Høyvik, Ida-Marie; Olsen, Jeppe; Jørgensen, Poul.

    In: Molecular Physics, Vol. 115, No. 1-2, 2017, p. 16-25.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  23. Published

    Geometrical derivatives and magnetic properties in atomic-orbital density-based Hartree-Fock theory. / Larsen, H.; Helgaker, T.; Olsen, J.; Jørgensen, P.

    In: Journal of Chemical Physics, Vol. 115, 2001, p. 10344-10352.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  24. Published

    Hartree-Fock and Kohn-Sham time-dependent response theory in a second-quantization atomic-orbital formalism suitable for linear scaling. / Kjærgaard, Thomas; Jørgensen, Poul; Olsen, Jeppe; Coriani, Sonia; Helgaker, Trygve.

    In: Journal of Chemical Physics, Vol. 129, No. 5, 2008, p. 054106.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  25. Published

    Linear-scaling implementation of molecular electronic self-consistent field theory. / Salek, Pawel; Høst, Stinne; Thøgersen, Lea; Jørgensen, Poul; Manninen, Pekka; Olsen, Jeppe; Jansik, Branislav; Reine, Simen; Pawlowski, Filip; Tellgren, Erik; Helgaker, Trygve; Coriani, Sonia.

    In: Journal of Chemical Physics, Vol. 126, 2007, p. 114110-1 - 114110-16.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review

  26. Published

    Linear-scaling implementation of molecular response theory in self-consistent field electronic-structure theory. / Coriani, Sonia; Høst, Stinne; Jansik, Branislav; Thøgersen, Lea; Olsen, Jeppe; Jørgensen, Poul; Reine, Simen; Pawlowski, Filip; Helgaker, Trygve; Salek, Pawel.

    In: Journal of Chemical Physics, Vol. 126, No. 15, 2007, p. 154108-1 - 154108-11.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearchpeer-review