Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. 2019
  2. Published

    Cluster perturbation theory : I. Theoretical foundation for a coupled cluster target state and ground-state energies. / Pawłowski, Filip; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 150, No. 13, 134109, 2019.

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

  3. Published

    Cluster perturbation theory. II. Excitation energies for a coupled cluster target state. / Pawłowski, Filip; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 150, No. 13, 134109, 2019.

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

  4. 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

  5. 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

  6. 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

  7. Published

    Cluster perturbation theory : III. Perturbation series for coupled cluster singles and doubles excitation energies. / Baudin, Pablo; Pawłowski, Filip; Bykov, Dmytro; Liakh, Dmitry; Kristensen, Kasper; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 150, No. 13, 134110, 2019.

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

  8. 2018
  9. 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

  10. 2017
  11. Published

    Pushing configuration-interaction to the limit : Towards massively parallel MCSCF calculations. / Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe; Gagliardi, Laura; Jong, Wibe de.

    In: The Journal of Chemical Physics, Vol. 147, No. 18, 2017, p. 184111, 1-13.

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

  12. 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

  13. Published

    Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT) : Dynamic electron correlation for large, compact active spaces. / Kähler, Sven; Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 147, No. 17, 174106, 07.11.2017.

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

  14. 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

  15. 2016
  16. Published

    Erratum : Multiconfiguration Pair-Density Functional Theory (J. Chem. Theory Comput. (2014) 10:9 (3669-3680)). / Li Manni, Giovanni; Carlson, Rebecca K.; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G.; Gagliardi, Laura.

    In: Journal of Chemical Theory and Computation, Vol. 12, No. 1, 2016, p. 458.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperComment/debateResearchpeer-review

  17. Published

    Second-order perturbation theory for generalized active space self-consistent-field wave functions. / Ma, Dongxia; Li Manni, Giovanni; Olsen, Jeppe; Gagliardi, Laura.

    In: Journal of Chemical Theory and Computation, Vol. 12, No. 7, 2016, p. 3208-3213.

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

  18. Published

    A view on coupled cluster perturbation theory using a bivariational Lagrangian formulation. / Kristensen, Kasper; Eriksen, Janus Juul; Matthews, Devin A; Olsen, Jeppe; Jørgensen, Poul.

    In: The Journal of Chemical Physics, Vol. 144, No. 6, 064103, 11.02.2016.

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

  19. 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

  20. Published

    Molecular response properties in equation of motion coupled cluster theory : A time-dependent perspective. / Coriani, Sonia; Pawlowski, Filip Ludwik; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 144, No. 2, 024102, 14.01.2016.

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

  21. 2015
  22. Published

    Molecular response properties from a Hermitian eigenvalue equation for a time-periodic Hamiltonian. / Pawlowski, Filip Ludwik; Olsen, Jeppe; Jørgensen, Poul.

    In: Journal of Chemical Physics, Vol. 142, No. 11, 114109, 2015.

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

  23. Published

    Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer. / Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 143, No. 11, 114102, 2015.

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

  24. 2014
  25. Published

    A direct method to transform between expansions in the configuration state function and Slater determinant bases. / Olsen, Jeppe.

    In: Journal of Chemical Physics, Vol. 141, No. 3, 034112, 21.07.2014.

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

  26. Published

    Multiconfiguration Pair-Density Functional Theory. / Li Manni, Giovanni; Carlson, Rebecca K; Luo, Sijie; Ma, Dongxie; Olsen, Jeppe; Truhlar, Donald G; Gagliardi, Laura.

    In: Journal of Chemical Theory and Computation, Vol. 10, No. 9, 09.2014, p. 3669-3680.

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

  27. 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

  28. 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

  29. 2013
  30. 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

  31. 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

  32. 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

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