Stephan P. A. Sauer
Professor
Department of Chemistry
Universitetsparken 5
2100 København Ø
- 1988
Berechnung frequenzabhängiger Polarisierbarkeiten mittels des Polarization-Propagator-Verfahrens: Diplomarbeit
Sauer, Stephan P. A., 1988, Ludwig-Maximilians-University, München.Research output: Book/Report › Report › Research
- 1991
Second-order polarization propagator calculations of dynamic dipole polarizabilities and C6 coefficients
Sauer, Stephan P. A., Diercksen, G. H. F. & Oddershede, J., 1991, In: International Journal of Quantum Chemistry. 39, 5, p. 667-679Research output: Contribution to journal › Journal article › Research › peer-review
The magnetizability and g-factor surfaces of ammonia
Sauer, Stephan P. A., Spirko, V. & Oddershede, J., 1991, In: Chemical Physics. 153, 1-2, p. 189-200Research output: Contribution to journal › Journal article › Research › peer-review
- 1992
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. 445-465Research output: Contribution to journal › Journal article › Research › peer-review
- 1993
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. 9220-9221Research output: Contribution to journal › Journal article › Research › peer-review
Calculation of the Verdet Constants for H2, N2, CO and FH
Parkinson, W. A., Sauer, Stephan P. A., Oddershede, J. & Bishop, D. M., 1993, In: Journal of Chemical Physics. 98, p. 487-495Research output: Contribution to journal › Journal article › Research › peer-review
Correlated Propagator Calculations of Magnetic and Electric Response Properties
Sauer, Stephan P. A., 1993, Odense.Research output: Book/Report › Ph.D. thesis › Research
Correlated and Gauge Invariant Calculations of Nuclear Shielding Constants
Sauer, Stephan P. A. & Oddershede, J., 1993, Nuclear Magnetic Shieldings and Molecular Structure. Tossel, J. A. (ed.). Amsterdam: Kluwer Academic Publishers, p. 351-365Research output: Chapter in Book/Report/Conference proceeding › Book chapter › Research › peer-review
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. 1123-1129Research output: Contribution to journal › Journal article › Research › peer-review
Paramagnetism of closed shell diatomic hydrides with six valence electrons
Sauer, Stephan P. A., Enevoldsen, T. & Oddershede, J., 1993, In: Journal of Chemical Physics. 98, 12, p. 9748-9757Research output: Contribution to journal › Journal article › Research › peer-review
- 1994
Correlated Dipole Oscillator Sum Rules
Packer, M. J., Sauer, Stephan P. A. & Oddershede, J., 1994, In: Journal of Chemical Physics. 100, 12, p. 8969-8975Research output: Contribution to journal › Journal article › Research › peer-review
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
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. 351-361Research output: Contribution to journal › Journal article › Research › peer-review
Correlated dipole polarizabilities and dipole moments of the halides HX and CH3X (X=F, Cl and Br)
Packer, M. J., Dalskov, E. K., Sauer, Stephan P. A. & Oddershede, J., 1994, In: Theoretical Chemistry Accounts. 89, 5-6, p. 323-333Research output: Contribution to journal › Journal article › Research › peer-review
Correlated polarization propagator calculations of static polarizabilities
Sauer, Stephan P. A. & Oddershede, J., 1994, In: International Journal of Quantum Chemistry. 50, 5, p. 317-322Research output: Contribution to journal › Journal article › Research › peer-review
Evaluation of Adiabatic and Nonadiabatic Effects from the Vibration-rotational Spectra of LiH X 1S+
Ogilvie, J. F., Sauer, Stephan P. A. & Oddershede, J., 1994, In: Chemical Physics Letters. 228, p. 183-190Research output: Contribution to journal › Journal article › Research › peer-review
Experimental and Theoretical Estimates of the Rotational g Factor of AlH in the Electronic Ground State X1S+
Sauer, Stephan P. A. & Ogilvie, J. F., 1994, In: Journal of Physical Chemistry A. 98, 35, p. 8617-8621Research output: Contribution to journal › Journal article › Research › peer-review
The Vibrational and Temperature Dependence of the Magnetic Properties of the Oxonium Ion (H3O+)
Sauer, Stephan P. A., Spirko, V., Paidarová, I. & Oddershede, J., 1994, In: Chemical Physics. 184, p. 1-11Research output: Contribution to journal › Journal article › Research › peer-review
- 1995
Calculated molecular mean excitation energies for some small molecules
Sauer, Stephan P. A., Sabin, J. R. & Oddershede, J., 1995, In: Nuclear Instruments and Methods in Physics Reseach B. 100, 4, p. 458-463Research output: Contribution to journal › Journal article › Research › peer-review
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. 405-425Research output: Contribution to journal › Journal article › Research › peer-review
Magnetic Properties of Molecules
Oddershede, J. & Sauer, Stephan P. A., 1995, Winter School in Theoretical Chemistry : Calculation of NMR Parameters. Pyykkö, P. & Sundholm, D. (eds.). University of HelsinkiResearch output: Chapter in Book/Report/Conference proceeding › Book chapter › Research
- 1996
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. 271-279Research output: Contribution to journal › Journal article › Research › peer-review
- 1997
- Published
Calculation, with the inclusion of vibrational corrections, of the dc-electrifield-induced second-harmonic-generation hyperpolarizability of methane
Bishop, D. M. & Sauer, Stephan P. A., 1997, In: Journal of Chemical Physics. 107, 20, p. 8503-8509Research output: Contribution to journal › Journal article › Research › peer-review
- 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. 3773-3780Research output: Contribution to journal › Journal article › Research › peer-review
- Published
The calculation and analysis of isotope effects on the nuclear spin-spin coupling constants of methane at various temperatures
Wigglesworth, R. D., Raynes, W. T., Sauer, Stephan P. A. & Oddershede, J., 1997, In: Molecular Physics. 92, 1, p. 77-88Research output: Contribution to journal › Journal article › Research › peer-review
ID: 9770
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Molecular modeling and experimental studies on structure and NMR parameters of 9-benzyl-3,6-diiodo-9H-carbazole
Research output: Contribution to journal › Journal article › Research › peer-review
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344
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Solution manual to molecular electromagnetism: a computational chemistry approach
Research output: Book/Report › Book › Research › peer-review
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Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems
Research output: Contribution to journal › Journal article › Research › peer-review
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