Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

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

    Linear-scaling symmetric square-root decomposition of the overlap matrix. / Jansik, Branislav; Høst, Stinne; Jørgensen, Poul; Olsen, Jeppe; Helgaker, Trygve.

    In: Journal of Chemical Physics, Vol. 126, 2007, p. 124104-9.

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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. Published

    ORBITAL CONNECTIONS FOR PERTURBATION-DEPENDENT BASIS-SETS. / Olsen, Jeppe; Bak, Keld L.; Ruud, K.; Helgaker, T.; Jørgensen, Poul.

    In: Theoretica chimica acta, Vol. 90, No. 5-6, 03.1995, p. 421-439.

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

  10. 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

  11. Published

    Quadratic Response Functions in a Second-Order Polarization Propagator Framework. / Olsen, Jeppe; Jørgensen, Poul; Helgaker, T.; Oddershede, J.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 109, 2005, p. 11618-11628.

    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. 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

  14. 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

  15. 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

  16. 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

  17. Published

    Spontaneous abortion in IVF couples - a role of male welding exposure. / Hjollund, N H; Bonde, J P; Ernst, E; Lindenberg, S; Andersen, A N; Olsen, J; Hjøllund, Niels Henrik Ingvar.

    In: Human reproduction (Oxford, England), Vol. 20, No. 7, 2005, p. 1793-1797.

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

  18. 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

  19. Published

    The Accurate Determination of Molecular Equlibrium Structures. / Bak, K.L.; Gauss, J.; Jørgensen, P.; Olsen, J.; Helgaker, T.; Stanton, J.F.

    In: Journal of Chemical Physics, Vol. 114, 2001, p. 6548-6556.

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

  20. Published

    The CASSCF Method: A Perspective and Commentary. / Olsen, Jeppe.

    In: International Journal of Quantum Chemistry, Vol. 111, No. 13, 05.11.2011, p. 3267-3272.

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

  21. 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

  22. Published

    The accurate determination of molecular equilibrium structures. / Bak, Keld L.; Gauss, Jürgen; Jørgensen, Poul; Olsen, Jeppe; Helgaker, Trygve; Stanton, J.F.

    In: Journal of Chemical Physics, Vol. 114, No. 15, 15.04.2001, p. 6548-6556.

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

  23. Published

    The augmented Roothaan-Hall method for optimizing Hartree-Fock and Kohn-Sham density matrices. / Høst, Stinne; Olsen, Jeppe; Jansik, Branislav; Thøgersen, Lea; Jørgensen, Poul; Helgaker, Trygve.

    In: Journal of Chemical Physics, Vol. 129, 2008, p. 124106.

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

  24. 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

  25. Published

    The generalized active space concept for the relativistic treatment ofelectron correlation. I. Kramers-restricted two-component configuration interaction. / Fleig, T.; Olsen, J.; Marian, C.M.

    In: J. Chem. Phys. B., 2001.

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

  26. Published

    The trust-region self-consistent field method in Kohn-Sham density-functional theory. / Thøgersen, Lea; Olsen, Jeppe; Köhn, Andreas; Jørgensen, Poul; Salek, Pawel; Helgaker, Trygve.

    In: Journal of Chemical Physics, Vol. 123, 2005, p. 074103-1-17.

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