Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

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  1. Published

    Benchmarking Second Order Methods for the Calculation of Vertical Electronic Excitation Energies: Valence and Rydberg States in Polycyclic Aromatic Hydrocarbons

    Falden, H. H., Falster-Hansen, K. R., Bak, K. L., Rettrup, S. & Sauer, Stephan P. A., 25 Sep 2009, In: Journal of Physical Chemistry A. 113, p. 11995 12012 p.

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

  2. Published

    Benchmarking anisotropic polarizabilities for 14 (hetero)-aromatic molecules at RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2, CCSD and CC3 levels

    Jørgensen, M. W. & Sauer, Stephan P. A., 5 May 2021, In: International Journal of Quantum Chemistry. 121, 9, 11 p., e26593.

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

  3. Published

    Benchmarking correlated methods for frequency dependent polarizabilities: aromatic molecules with the CC3, CCSD, CC2 and SOPPA methods

    Jørgensen, M. W., Faber, R., Ligabue, A. & Sauer, Stephan P. A., 2019.

    Research output: Contribution to conference › Poster › Research

  4. Published

    Benchmarking correlated methods for frequency dependent polarizabilities: aromatic molecules with the CC3, CCSD, CC2, SOPPA, SOPPA(CC2) and SOPPA(CCSD) methods

    Jørgensen, M. W., Faber, R., Ligabue, A. & Sauer, Stephan P. A., 17 Apr 2020, In: Journal of Chemical Theory and Computation. 16, 5, p. 3006-3018 13 p.

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

  5. Published

    Benchmarking correlated methods for static and dynamic polarizabilities: The T145 data set evaluated with RPA, RPA(D), HRPA, HRPA(D), SOPPA, SOPPA(CC2), SOPPA(CCSD), CC2 and CCSD

    Beizaei, N. & Sauer, Stephan P. A., 6 May 2021, In: The Journal of Physical Chemistry Part A. 125, 17, p. 3785-3792 8 p.

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

  6. Published

    Benchmarking doubles-corrected random-phase approximation methods for frequency dependent polarizabilities: aromatic molecules calculated at the RPA, HRPA, RPA(D), HRPA(D) and SOPPA levels

    Jørgensen, M. W. & Sauer, Stephan P. A., 15 Jun 2020, In: Journal of Chemical Physics. 152, 10 p., 234101.

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

  7. Published

    Benchmarking the multipole shielding polarizability / reaction field approach to solvation against QM/MM. Applications to the shielding constants of N-methylacetamide

    Kjær, H., Sauer, Stephan P. A. & Kongsted, J., 25 Jan 2011, In: Journal of Chemical Physics. 134, 4, p. 044514 11 p.

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

  8. Published

    Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods - CCSDR(3) versus CC3

    Sauer, Stephan P. A., Schreiber, M., Silva-Junior, M. R. & Thiel, W., 2009, In: Journal of Chemical Theory and Computation. 5, 3, p. 555-564

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

  9. Published

    Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

    Schreiber, M., Silva-Junior, M. R., Sauer, Stephan P. A. & Thiel, W., 2008, In: Journal of Chemical Physics. 128, 13, p. 134110/1-25 25 p.

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

  10. Published

    Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    Silva-Junior, M. R., Schreiber, M., Sauer, Stephan P. A. & Thiel, W., 2008, In: Journal of Chemical Physics. 129, 10, p. 104103 14 p.

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

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