Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. Working paper
  2. Published

    Atoms, Molecules and Quantum Dots in Laser Fields: Fundamental Processes. / Braskén, M.; Lindberg, M.; Sundholm, D.; Olsen, J.; Bloembergen, N. (Editor); Rahman, N. (Editor); Rizzo, A. (Editor).

    Bologna : Società Italiana di Fisica, 2001. p. 144107-1-144107-18.

    Research output: Working paperResearch

  3. Poster
  4. 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

  5. Book chapter
  6. Published

    Wave Function-Based Quantum Chemistry. / Jørgensen, Poul; Olsen, Jeppe; Helgaker, Trygve; Klopper, Wim.

    Computational Medicinal Chemistry for Drug Discovery. ed. / Patrick Bultinck; Hans de Winter; Wilfried Langenaeker; Jan P. Tollenaere. New York : Marcel Decker Inc, 2004. p. 57-88.

    Research output: Contribution to book/anthology/report/proceedingBook chapterEducationpeer-review

  7. Published

    Highly accurate ab initio computation of thermochemical data. / Helgaker, T.; Bak, K.L.; Halkier, A.; Jørgensen, P.; Klopper, W.; Olsen, J.; I.J.Cioslowski. (Editor).

    Quantum-Mechanical Prediction of Thermochemical Data. Dordrecht : Kluwer Academic Publishers, 2001.

    Research output: Contribution to book/anthology/report/proceedingBook chapterResearch

  8. Comment/debate
  9. 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

  10. Journal article
  11. 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

  12. 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

  13. 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

  14. 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

  15. Published

    A coupled cluster and full configuration interaction study of CN and CN-. / Thøgersen, L.; Olsen, J.

    In: Chemical Physics Letters, Vol. 393, 2004, p. 36-43.

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

  16. Published

    A coupled cluster and full configuration interaction study of CN and CN-. / Thøgersen, Lea; Olsen, Jeppe.

    In: Chemical Physics Letters, Vol. 393, 2004, p. 36-43.

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

  17. 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

  18. Published

    The trust-region self-consistent field method: Towards a black-box optimization in Hartree-Fock and Kohn-Sham theories. / Thøgersen, Lea; Olsen, Jeppe; Yeager, D.; Jørgensen, Poul; Salek, Pawel; Helgaker, Trygve.

    In: Journal of Chemical Physics, Vol. 121, 2004, p. 16-27.

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

  19. 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

  20. 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

  21. 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

  22. 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

  23. 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

  24. Published

    A comparison of excited state properties for iterative approximate triples linear response coupled cluster methods. / Sattelmeyer, K.W.; Stanton, J.F.; Olsen, J.; Gauss, J.

    In: Chem. Phys. Letters, Vol. 347, 2001, p. 499-504.

    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

    A NUMERICALLY STABLE ORBITAL CONNECTION FOR THE CALCULATION OF ANALYTICAL HESSIANS USING PERTURBATION-DEPENDENT BASIS-SETS. / Ruud, K.; Helgaker, T.; Olsen, Jeppe; Jørgensen, Poul; Bak, Keld L.

    In: Chemical Physics Letters, Vol. 235, No. 1-2, 17.03.1995, p. 47-52.

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

  27. Published

    ACCURATE MAGNETIZABILITIES OF THE ISOELECTRONIC SERIES BEH-, BH, AND CH+ - THE MCSCF-GIAO APPROACH. / Ruud, K.; Helgaker, T.; Bak, Keld L.; Jørgensen, Poul; Olsen, Jeppe.

    In: Chemical Physics, Vol. 195, No. 1-3, 01.06.1995, p. 157-169.

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

  28. 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

  29. 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

  30. 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

  31. 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

  32. 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

  33. 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

  34. Published

    Molecular equilibrium structures from experimental rotational constants and calculated vibration-rotation interaction constants. / Pawlowski, F.; Jørgensen, P.; Olsen, J.; Hegelund, Flemming; Helgaker, T.; Gauss, J.; Bak, K.L.; Stanton, J.F.

    In: Journal of Chemical Physics, Vol. 116, 2002, p. 6482-6496.

    Research output: Contribution to journal/Conference contribution in journal/Contribution to newspaperJournal articleResearch

  35. 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

  36. 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

  37. 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

  38. 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

  39. 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

  40. 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

  41. 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

  42. 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

  43. 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

  44. 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

  45. 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

  46. 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

  47. 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

  48. 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

  49. 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

  50. 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

  51. Published

    Triplet excitation energies in full configuration interaction and coupled-cluster theory. / Larsen, H.; Hald, K.; Olsen, J.; Jørgensen, P.

    In: Journal of Chemical Physics, Vol. 115, 2001, p. 3015-3020.

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

  52. 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

  53. 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

  54. Published

    A general coupled cluster study of the N2 molecule. / Krogh, J.W.; Olsen, J.

    In: Chem. Phys. Letters, Vol. 344, 2001, p. 578-586.

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

  55. 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

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