Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. 2011
  2. Published

    Two- and four-component relativistic generalized-active-space coupled cluster method: Implementation and application to BiH. / Sørensen, Lasse Kragh; Olsen, Jeppe; Fleig, Timo .

    In: Journal of Chemical Physics, Vol. 134, No. 21, 07.06.2011, p. 214102-1 - 214102-16.

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

  3. 2010
  4. Published

    A Relativistic Four- and Two-component Generalized-active-space Coupled Cluster Method. / Sørensen, Lasse Kragh; Fleig, T. ; Olsen, Jeppe.

    In: Zeitschrift für Physikalische Chemie: International journal of research in physical chemistry and chemical physics, Vol. 224, No. 3-4, 2010, p. 671-680.

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

  5. 2009
  6. Published

    A stepwise atomic valence-molecular, and full-molecular optimisation of the Hartree-Fock/Kohn-Sham energy. / Jansik, Branislav; Høst, Stinne; Johansson, Mikael Peter; Olsen, Jeppe; Jørgensen, Poul; Helgaker, Trygve.

    In: Physical Chemistry Chemical Physics, Vol. 11, No. 27, 2009, p. 5805-5813.

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

  7. Published

    Maximum locality in occupied and virtual orbital spaces using a least change strategy. / Ziolkowski, Marcin; Jansik, Branislav; Jørgensen, Poul; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 131, 2009, p. 124112.

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

  8. Published

    Robust and Reliable Multilevel Minimization of the Kohn−Sham Energy. / Jansik, Branislav; Høst, Stinne; Johansson, Mikael Peter; Olsen, Jeppe; Jørgensen, Poul; Helgaker, Trygve.

    In: Journal of Chemical Theory and Computation, Vol. 5, 2009, p. 1027–1032.

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

  9. Published

    Spectroscopic and electric properties of the LiCs molecule: a coupled cluster study including higher excitations. / Kragh Sørensen, Lasse; Fleig, Timo; Olsen, Jeppe.

    In: Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 42, No. 16, 2009, p. 165102.

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

  10. 2008
  11. Published

    A ground-state directed optimization scheme for the Kohn-Sham energy. / Høst, Stinne; Jansik, Branislav; Olsen, Jeppe; Jørgensen, Poul; Reine, Simen; Helgaker, Trygve.

    In: Physical Chemistry Chemical Physics, Vol. 10, 2008, p. 5344.

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

  12. Published

    An efficient algorithm for solving nonlinear equations with a minimal number of trial vectors: Applications to atomic-orbital based coupled-cluster theory. / Ziolkowski, Marcin; Weijo, Ville; Jørgensen, Poul; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 128, 2008, p. 204105.

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

  13. 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

  14. Published

    Stability of the three tetracoordinated dianions Ni(CN)2-4 , Cr(SCN)2-4 , and Cu(N3)2-4     . / Drenck, K.; Jensen, Frank; Olsen, Jeppe; Nielsen, Steen Brøndsted.

    In: Chemical Physics, Vol. 353, 2008, p. 189-192.

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