Aarhus University Seal / Aarhus Universitets segl

Jeppe Olsen

  1. Published

    1ST-ORDER NONADIABATIC COUPLING MATRIX-ELEMENTS FROM MULTICONFIGURATIONAL SELF-CONSISTENT-FIELD RESPONSE THEORY. / Bak, Keld L.; Jørgensen, Poul; Jensen, H.J.A.; Olsen, Jeppe; Helgaker, T.

    In: Journal of Chemical Physics, Vol. 97, No. 10, 15.11.1992, p. 7573-7584.

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

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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

  7. 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

  8. 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

  9. 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

  10. 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

  11. Published

    A priori calculation of molecular properties to chemical accuracy. / Helgaker, T.; Ruden, T.A.; Jørgensen, P.; Olsen, J.; Klopper, W.

    In: J. Phys. Org. Chem., Vol. 17, 2004, p. 913-933.

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

  12. 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

  13. 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

  14. Published

    AB-INITIO CALCULATION OF ELECTRONIC CIRCULAR-DICHROISM FOR TRANS-CYCLOOCTENE USING LONDON ATOMIC ORBITALS. / Bak, Keld L.; Hansen, Aage E.; Ruud, K.; Helgaker, T.; Olsen, Jeppe; Jørgensen, Poul.

    In: Theoretica chimica acta, Vol. 90, No. 5-6, 03.1995, p. 441-458.

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

  15. 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

  16. Published

    An analysis and implementation of a general coupled cluster approach to excitation energies with application to the B2 molecule. / Hald, K.; Jørgensen, P.; Olsen, J.; Jaszunski, M.

    In: Journal of Chemical Physics, Vol. 115, 2001, p. 671-679.

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

  17. 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

  18. 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

  19. Published

    CC3 triplet excitation energies using an explicit spin coupled excitation space. / Hald, K.; Hättig, C.; Olsen, J.; Jørgensen, P.

    In: Journal of Chemical Physics, Vol. 115, 2001, p. 3545-3552.

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

  20. Published

    Chemical accuracy from "Coulomb hole" extrapolated molecular quantum-mechanical calculations. / Bak, K.L.; Halkier, A.; Jørgensen, P.; Olsen, J.; Helgaker, T.; Klopper, W.

    In: Journal of Molecular Structure: THEOCHEM, Vol. 567, 2001, p. 375-384.

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

  21. Published

    Chemical accuracy from 'Coulomb hole' extrapolated molecular quantum-mechanical calculations. / Bak, KL; Halkier, A.; Jorgensen, P; Olsen, Jeppe; Helgaker, T.; Klopper, W.

    In: Journal of Molecular Structure: THEOCHEM, Vol. 567, 13.06.2001, p. 375-384.

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

  22. 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

  23. 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

  24. 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

  25. 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

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