Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. 2014
  2. 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

  3. Published

    The Dalton quantum chemistry program system. / Aidas, Kestutis; Angeli, C.; Bak, K.L.; Bakken, V.; Bast, R.; Boman, L.; Christiansen, O.; Cimiraglia, R.; Coriani, S.; Dahle, P.; Dalskov, E.K.; Ekström, U.; Enevoldsen, T.; Eriksen, J.J.; Ettenhuber, P.; Fernández, B.; Ferrighi, L.; Fliegl, H.; Frediani, L.; Hald, K.; Halkier, A.; Hättig, C.; Heiberg, H.; Helgaker, T.; Hennum, A.C.; Hettema, H.; Hjertenæs, E.; Høst, S.; Høyvik, I.-M.; Iozzi, M.F.; Jansík, B.; Jensen, H.J.A.; Jonsson, D.; Jørgensen, P.; Kauczor, J.; Kirpekar, S.; Kjærgaard, T.; Klopper, W.; Knecht, Stefan; Kobayashi, R.; Koch, H.; Kongsted, J.; Krapp, A.; Kristensen, K.; Ligabue, A.; Lutnæs, O.B.; Melo, J.I.; Mikkelsen, K.V.; Myhre, R.H.; Neiss, C.; Nielsen, C.B.; Norman, P.; Olsen, J.; Olsen, J.M.H.; Osted, A.; Packer, M.J.; Pawlowski, F.; Pedersen, T.B.; Provasi, P.F.; Reine, S.; Rinkevicius, Z.; Ruden, T.A.; Ruud, K.; Rybkin, V.V.; Sałek, P.; Samson, C.C.M.; de Merás, A.S.; Saue, T.; Sauer, Stephan P. A.; Schimmelpfennig, B.; Sneskov, K.; Steindal, A.H.; Sylvester-Hvid, K. O.; Taylor, P.R.; Teale, A.M.; Tellgren, E.I.; Tew, D.P.; Thorvaldsen, A.J.; Thøgersen, L.; Vahtras, O.; Watson, M.A.; Wilson, Douglas; Ziolkowski, M.; Ågren, H.

    In: Wiley Interdisciplinary Reviews: Computational Molecular Science, Vol. 4, No. 3, 2014, p. 269–284.

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

  4. 2013
  5. Published

    Dissociation of the Chromium Dimer using Ensemble DFT with Second Order Optimisation and Blinkers. / Nygaard, Cecilie Riis; Olsen, Jeppe.

    2013.

    Research output: Contribution to conferencePosterCommunication

  6. Published

    A Second-Order Unconstrained Optimization Method for Canonical-Ensemble Density-Functional Methods. / Nygaard, Cecilie Riis; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 138, No. 9, 094109, 05.03.2013.

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

  7. Published

    The energy, orbitals and electric properties of the ozone molecule with ensemble density functional theory. / Nygaard, Cecilie Riis; Olsen, Jeppe.

    In: Molecular Physics, Vol. 111, No. 9-11, 2013, p. 1259-1270.

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

  8. Published

    SplitGAS Method for Strong Correlation and the Challenging Case of Cr2. / Li Manni, Giovanni; Ma, Dongxie; Aquilante , Francesco ; Olsen, Jeppe; Gagliardi, Laura.

    In: Journal of Chemical Theory and Computation, Vol. 9, No. 8, 13.06.2013, p. 3375-3384.

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

  9. 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

  10. 2012
  11. 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

  12. Published

    Recent Advances in Wave Function-Based Methods of Molecular-Property Calculations. / Helgaker, Trygve; Coriani, Sonia; Jørgensen, Poul; Kristensen, Kasper; Olsen, Jeppe; Ruud, Kenneth.

    In: Chemical Reviews, Vol. 112, No. 543, 2012.

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

  13. 2011
  14. 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