Publications of S. P. A. Sauer
All genres
Journal Article (7)
2010
Journal Article
108, pp. 453 - 465 (2010)
Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2. Molecular Physics
Journal Article
133, 174318 (2010)
Benchmarks of electronically excited states: Basis set effects on CASPT2 results. Journal of Chemical Physics
Journal Article
132, 114305, pp. 114305-1 - 114305-15 (2010)
Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode. Journal of Chemical Physics 2009
Journal Article
5, pp. 555 - 564 (2009)
Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3. Journal of Chemical Theory and Computation 2008
Journal Article
129, 104103 (2008)
Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction. Journal of Chemical Physics
Journal Article
128, 134110 (2008)
Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3. Journal of Chemical Physics 2006
Journal Article
110, pp. 8811 - 8817 (2006)
Directional dependence of the mean excitation energy and spectral moments of the dipole oscillator strength distribution of glycine and its zwitterion. Journal of Physical Chemistry A