Aarhus University Seal / Aarhus Universitets segl

Ian Heide Godtliebsen

  1. 2019
  2. Published

    Machine learning for potential energy surfaces : An extensive database and assessment of methods. / Schmitz, Gunnar; Godtliebsen, Ian Heide; Christiansen, Ove.

    In: The Journal of Chemical Physics, Vol. 150, No. 24, 244113, 2019.

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

  3. 2018
  4. Published

    Employing general fit-bases for construction of potential energy surfaces with an adaptive density-guided approach. / Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove.

    In: Journal of Chemical Physics, Vol. 148, No. 6, 064113, 14.02.2018.

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

  5. Published

    Tensor-decomposed vibrational coupled-cluster theory: Enabling large-scale, highly accurate vibrational-structure calculations. / Madsen, Niels Kristian; Godtliebsen, Ian H; Losilla, Sergio A; Christiansen, Ove.

    In: Journal of Chemical Physics, Vol. 148, No. 2, 14.01.2018, p. 024103.

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

  6. 2017
  7. Published

    Tensor-decomposed vibrational coupled-cluster theory. / Madsen, Niels Kristian; Godtliebsen, Ian Heide; Christiansen, Ove.

    2017. Poster session presented at WATOC 2017, München, Germany.

    Research output: Contribution to conferencePosterResearch

  8. Published

    General Fit-Basis Functions and Specialized Coordinates in an Adaptive Density-Guided Approach to Potential Energy Surfaces. / Klinting, Emil Lund; Thomsen, Bo; Godtliebsen, Ian Heide; Christiansen, Ove.

    2017. 1 Poster session presented at WATOC 2017, München, Germany.

    Research output: Contribution to conferencePosterCommunication

  9. Published

    Efficient algorithms for solving the non-linear vibrational coupled-cluster equations using full and decomposed tensors. / Madsen, Niels K.; Godtliebsen, Ian H.; Christiansen, Ove.

    In: Journal of Chemical Physics, Vol. 146, No. 13, 134110, 07.04.2017.

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

  10. 2016
  11. Published

    FALCON: a method for flexible adaptation of local coordinates of nuclei. / König, Carolin; Hansen, Mads Bøttger; Godtliebsen, Ian Heide; Christiansen, Ove.

    In: The Journal of Chemical Physics, Vol. 144, 074108, 19.02.2016.

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

  12. 2015
  13. Published

    Calculating vibrational spectra without determining excited eigenstates : Solving the complex linear equations of damped response theory for vibrational configuration interaction and vibrational coupled cluster states. / Godtliebsen, Ian H.; Christiansen, Ove.

    In: The Journal of Chemical Physics, Vol. 143, No. 13, 134108, 2015.

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

  14. Published

    Tensor decomposition techniques in the solution of vibrational coupled cluster response theory eigenvalue equations. / Godtliebsen, Ian H; Hansen, Mads Bøttger; Christiansen, Ove.

    In: Journal of Chemical Physics, Vol. 142, No. 2, 024105, 2015.

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

  15. 2014
  16. Published

    Tensor Decompositions and Vibrational Coupled Cluster Response Theory. / Godtliebsen, Ian Heide.

    2014. 212 p.

    Research output: Book/anthology/dissertation/reportPh.D. thesisResearch

  17. 2013
  18. Published

    A band Lanczos approach for calculation of vibrational coupled cluster response functions: simultaneous calculation of IR and Raman anharmonic spectra for the complex of pyridine and a silver cation. / Godtliebsen, Ian Heide; Christiansen, Ove.

    In: Physical Chemistry Chemical Physics, Vol. 15, 2013, p. 10035-10048.

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

  19. Published

    Tensor Decomposition and Vibrational Coupled Cluster Theory. / Godtliebsen, Ian Heide; Thomsen, Bo; Christiansen, Ove.

    In: Journal of Physical Chemistry Part A: Molecules, Spectroscopy, Kinetics, Environment and General Theory, Vol. 117, No. 32, 2013, p. 7267-7279.

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