Publications of the MPI für Kohlenforschung

Publications of S. P. A. Sauer

Journal Article (7)

2010
Journal Article
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.
Journal Article
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.
Journal Article
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.
2009
Journal Article
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.
2008
Journal Article
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.
Journal Article
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.
2006
Journal Article
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.
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