Publikationen von S. P. A. Sauer

Silva-Junior, M. R.; Sauer, S. P. A.; Schreiber, M.; Thiel, W. Basis set effects on coupled cluster benchmarks of electronically excited states: CC3, CCSDR(3) and CC2. Molecular Physics 2010, 108, 453–465.

Silva-Junior, M. R.; Schreiber, M.; Sauer, S. P. A.; Thiel, W. Benchmarks of electronically excited states: Basis set effects on CASPT2 results. Journal of Chemical Physics 2010, 133, 174318.

Yachmenev, A.; Yurchenko, S. N.; Paidarová, I.; Jensen, P.; Thiel, W.; Sauer, S. P. A. Thermal averaging of the indirect nuclear spin-spin coupling constants of ammonia: The importance of the large amplitude inversion mode. Journal of Chemical Physics 2010, 132, 114305–114301-114305–114315.

Sauer, S. P. A.; Schreiber, M.; Ramos da Silva, M.; Thiel, W. 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 2009, 5, 555–564.

Ramos da Silva, M.; Schreiber, M.; Sauer, S. P. A.; Thiel, W. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction. Journal of Chemical Physics 2008, 129, 104103.

Schreiber, M.; Ramos da Silva, M.; Sauer, S. P. A.; Thiel, W. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3. Journal of Chemical Physics 2008, 128, 134110.

Sauer, S. P. A.; Oddershede, J.; Sabin, J. R. 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 2006, 110, 8811–8817.