Stephan P A Sauer

Dalton Project: A Python platform for molecular- and electronic-structure simulations of complex systems.

Roberto Di Remigio, Xin Li, Trygve Helgaker, 2020, The Journal of chemical physics.

Noniterative Doubles Corrections to the Random Phase and Higher Random Phase Approximations: Singlet and Triplet Excitation Energies

Pi A. B. Haase, Rasmus Faber, Stephan P A Sauer, 2019, J. Comput. Chem..

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

Walter Thiel, Marko Schreiber, Stephan P A Sauer, 2009, Journal of chemical theory and computation.

Gauge invariant calculations of nuclear magnetic shielding constants using the continuous transformation of the origin of the current density approach. II. Density functional and coupled cluster theory.

Paolo Lazzeretti, Stephan P A Sauer, P. Lazzeretti, 2007, The Journal of chemical physics.

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

Walter Thiel, Marko Schreiber, Stephan P A Sauer, 2008, The Journal of chemical physics.

The Dalton quantum chemistry program system

Luca Frediani, Thomas Kjærgaard, Trygve Helgaker, 2013, Wiley interdisciplinary reviews. Computational molecular science.

On the Accuracy of Density Functional Theory to Predict Shifts in Nuclear Magnetic Resonance Shielding Constants due to Hydrogen Bonding.

Jacob Kongsted, Kestutis Aidas, Stephan P A Sauer, 2008, Journal of chemical theory and computation.