Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

Publication year:
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1 - 10 out of 14Page size: 10
  1. 2023
  2. Published

    On the Geometry Dependence of the NMR Chemical Shift of Mercury in Thiolate Complexes: A Relativistic DFT Study

    Wu, H., Hemmingsen, Lars Bo Stegeager & Sauer, Stephan P. A., 21 Dec 2023, arxiv.org, 15 p.

    Research output: Working paper › Preprint › Research

  3. Published

    Which options exist for NISQ-friendly linear response formulations?

    Ziems, K. M., Kjellgren, E. R., Reinholdt, P., Jensen, Phillip Wagner Kastberg, Sauer, Stephan P. A., Kongsted, J. & Coriani, S., 21 Dec 2023, arxiv.org, 50 p.

    Research output: Working paper › Preprint › Research

  4. Published

    Quantum Equation of Motion with Orbital Optimization for Computing Molecular Properties in Near-Term Quantum Computing

    Jensen, Phillip Wagner Kastberg, Kjellgren, E. R., Reinholdt, P., Ziems, K. M., Coriani, S., Kongsted, J. & Sauer, Stephan P. A., 19 Dec 2023, arxiv.org, 17 p.

    Research output: Working paper › Preprint › Research

  5. Published

    The variational quantum eigensolver self-consistent field method within a polarizable embedded framework

    Kjellgren, E. R., Reinholdt, P., Fitzpatrick, A., Talarico, W. N., Jensen, Phillip Wagner Kastberg, Sauer, Stephan P. A., Coriani, S., Knecht, S. & Kongsted, J., 4 Dec 2023, arxiv.org, 19 p.

    Research output: Working paper › Preprint › Research

  6. Published

    On the performance of HRPA(D) for NMR spin-spin coupling constants: Smaller molecules, aromatic and fluoroaromatic compounds

    Jessen, L. M. & Sauer, Stephan P. A., 1 Dec 2023, arxiv.org, 12 p.

    Research output: Working paper › Preprint › Research

  7. Published

    Exploring Alternate Methods to High-Level Vibrational Correction Calculations of NMR Spin-Spin Coupling Constants

    Gleeson, R., Aggelund, P. A., Østergaard, Frederik Cornelius, Schaltz, K. F. & Sauer, Stephan P. A., 2 Nov 2023, p. 43, (ChemRxiv).

    Research output: Working paper › Preprint › Research

  8. Published

    Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory

    Summa, F. F., Andersen, J. H., Lazzeretti, P., Sauer, Stephan P. A., Monaco, G., Coriani, S. & Zanasi, R., 5 Oct 2023, In: Journal of Chemical Theory and Computation. 19, 20, p. 7242-7259 18 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  9. Published

    Theoretical Investigations of Dye-Sensitized Solar Cells

    Chen, Jing, Vishart, A. L., Sauer, Stephan P. A. & Mikkelsen, Kurt Valentin, 8 Aug 2023, In: Journal of Nanotechnology and Nanomaterials. 4, 2, p. 38-54 17 p.

    Research output: Contribution to journal › Journal article › Research › peer-review

  10. Published

    A theoretical study of hydrogen abstraction reactions inguanosine and uridine

    Schaltz, K. F. & Sauer, Stephan P. A., 3 May 2023, In: International Journal of Molecular Sciences (Online). 24, 9, 12 p., 8192.

    Research output: Contribution to journal › Journal article › Research › peer-review

  11. Published

    Indirect nuclear spin-spin couplings with third order contributions added to the SOPPA method

    Sanz Rodrigo, J., Hillers-Bendtsen, Andreas Erbs, Kjeldal, F. Ø., Høyer, N. M., Mikkelsen, Kurt Valentin & Sauer, Stephan P. A., 28 Mar 2023, In: The Journal of Chemical Physics. 158, 12, 10 p., 124118.

    Research output: Contribution to journal › Journal article › Research › peer-review

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ID: 9770