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 108, S. 453 - 465 (2010)

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 133, 174318 (2010)

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 132, 114305, S. 114305-1 - 114305-15 (2010)

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 5, S. 555 - 564 (2009)

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 129, 104103 (2008)

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 128, 134110 (2008)

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 110, S. 8811 - 8817 (2006)