Stephan P. A. Sauer

Stephan P. A. Sauer

Professor

ORCID: 0000-0003-4812-0522

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  1. Published

    Calculation of mean excitation energies of 3d-elements and their cations

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 11 Mar 2021, In: Molecular Physics. 119, 5, 14 p., e1823508.

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

  2. Published

    The mean excitation energy of atomic ions

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 2015, Concepts of mathematical physics in chemistry: a tribute to Frank E. Harris - part A. Sabin, J. R. & Cabrera-Trujillo, R. (eds.). Elsevier, p. 29-40 12 p. (Advances in Quantum Chemistry, Vol. 71).

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  3. Published

    The vibrational dependence of the hydrogen and oxygen nuclear magnetic shielding constants in OH- and OH- . H2O

    Sauer, Stephan P. A., Spirko, V., Paidarová, I. & Kraemer, W. P., 1997, In: Chemical Physics. 214, 1, p. 91-102

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

  4. A sum-over-states formulation of the diamagnetic contribution to the indirect nuclear spin-spin coupling constant

    Sauer, Stephan P. A., 1993, In: Journal of Chemical Physics. 98, 11, p. 9220-9221

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

  5. Published

    Performance of SOPPA-based methods in the calculation of vertical excitation energies and oscillator strengths

    Sauer, Stephan P. A., Pitzner-Frydendahl, H. F., Buse, M., Jensen, H. J. A. & Thiel, W., 2015, In: Molecular Physics. 113, 13-14, p. 2026–2045 20 p.

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

  6. Published

    Mean Excitation Energies for Biomolecules: Glycine to DNA

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 28 Jul 2011, In: Advances in Quantum Chemistry. 62, p. 215-242

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

  7. Correlated and Gauge Origin Independent Calculations of Magnetic Properties. I. Triply Bonded Molecules

    Sauer, Stephan P. A., Paidarová, I. & Oddershede, J., 1994, In: Molecular Physics. 81, 1, p. 87 118 p.

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

  8. Published

    Calculated rotational and vibrational g factors of LiH X 1S+ and evaluation of parameters in radial functions from rotational and vibration-rotational spectra

    Sauer, Stephan P. A., Paidarová, I., Oddershede, J., Bak, K. L. & Ogilvie, J. F., 15 Mar 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 736-752

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

  9. Calculations of magnetic hyperfine structure constants for the low-lying rovibrational levels of LiH, HF, CH+, and BH

    Sauer, Stephan P. A. & Paidarová, I., 1995, In: Chemical Physics. 201, 2-3, p. 405-425

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

  10. Theoretical Estimate of the Rotational g-Factor, Magnetizability and Electric Dipole Moment of GaH

    Sauer, Stephan P. A., 1996, In: Chemical Physics Letters. 260, 1-2, p. 271-279

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

  11. Published

    Second-order polarization propagator approximation with coupled-cluster singles and doubles amplitudes - SOPPA(CCSD): the polarizability and hyperpolarizability of Li-

    Sauer, Stephan P. A., 1997, In: Journal of Physics B: Atomic, Molecular and Optical Physics. 30, 17, p. 3773-3780

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

  12. Directional Characteristics of the Moments of the Dipole Oscillator Strength Distributions of Molecules: H2 and H2O

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 1993, In: Physical Review A (Atomic, Molecular and Optical Physics). 47, 2, p. 1123-1129

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

  13. Published

    The ab initio calculation of molecular properties other than the potential energy surface

    Sauer, Stephan P. A. & Packer, M. J., 2000, Computational Molecular Spectroscopy. Jensen, P. & Bunker, P. R. (eds.). England: IEEE Computer Society Press, p. 222-252

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research

  14. Published

    Calculation of mean excitation energies

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 29 Nov 2019, Rufus Ritchie, A Gentleman and A Scholar. Vol. 80. p. 225-245 21 p. (Advances in Quantum Chemistry).

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  15. Published

    Coupled cluster calculations of mean excitation energies of the noble gas atoms He, Ne and Ar and of the H2 molecule

    Sauer, Stephan P. A., Ul Haq, I., Sabin, J. R., Oddershede, J., Christiansen, O. & Coriani, S., 2014, In: Molecular Physics. 112, 5-6, p. 751-761 11 p.

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

  16. 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

  17. Correlated Calculations of the Rotational g-tensor and Origin Independent Magnetizability Surface of BH

    Sauer, Stephan P. A., Oddershede, J. & Geertsen, J., 1992, In: Molecular Physics. 76, 2, p. 445-465

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

  18. Published

    Theory and calculation of stopping cross sections of nucleobases for swift ions

    Sauer, Stephan P. A., Oddershede, J. & Sabin, J. R., 2012, Radiation damage in biomolecular systems: biological and medical physics, biomedical engineering. Gómez-Tejedor, G. G. & Fuss, M. C. (eds.). Springer Science+Business Media, p. 191-200 10 p.

    Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review

  19. Published

    Z-dependence of Mean Excitation Energies for Second and Third Row Atoms and Their Ions

    Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 2018, In: The Journal of Chemical Physics. 148, 8 p., 174307.

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

  20. Published

    David M. Bishop: esteemed colleague and dear friend

    Sauer, Stephan P. A., 2011, In: International Journal of Quantum Chemistry. 111, 4, p. 723-724

    Research output: Contribution to journal › Editorial › Research

  21. Published

    The Anomalous Deuterium Isotope Effect in the NMR Spectrum of Methane: An Analysis in Localized Molecular Orbitals

    Sauer, Stephan P. A. & Provasi, P. F., 2008, In: ChemPhysChem. 9, 9, p. 1259-1261

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

  22. Published

    Molecular Electromagnetism: A Computational Chemistry Approach

    Sauer, Stephan P. A., Aug 2011, Oxford: Oxford University Press. 320 p.

    Research output: Book/Report › Book › Education

  23. Published

    Effective potential energy curves of the ground electronic state of CH+

    Sauer, Stephan P. A. & Spirko, V., 2013, In: Journal of Chemical Physics. 138, 2, 9 p., 024315.

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

  24. Published

    Rotational g-factor and spin-rotation constant of CH+

    Sauer, Stephan P. A., 2010, In: Journal of Chemical Physics. 133, 17, p. 171101 4 p.

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

  25. Correlated and Gauge Origin Independent Calculations of Magnetic Properties. II. Shielding Constants of Simple Singly Bonded Molecules

    Sauer, Stephan P. A., Paidarová, I. & Oddershede, J., 1994, In: Theoretical Chemistry Accounts. 88, 5, p. 351-361

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

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