Stephan P. A. Sauer

The <scp>D</scp>alton quantum chemistry program system

Kęstutis Aidas, Celestino Angeli, Keld L. Bak et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2013 · 1.5K citations · Full text

Natural Sciences, Chemistry, Physics +17

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

Marko Schreiber, Mario R. Silva‐Junior, Stephan P. A. Sauer et al. · The Journal of Chemical Physics · 2008 · 1K citations

Natural Sciences, Chemistry, Physics +17

Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

Mario R. Silva‐Junior, Marko Schreiber, Stephan P. A. Sauer et al. · The Journal of Chemical Physics · 2008 · 542 citations

Natural Sciences, Chemistry, Physics +17

Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

Thomas Enevoldsen, Jens Oddershede, Stephan P. A. Sauer · Theoretical Chemistry Accounts · 1998 · 306 citations

Natural Sciences, Chemistry, Physics +12

The effect of lone pairs and electronegativity on the indirect nuclear spin–spin coupling constants in CH2X (X=CH2, NH, O, S): <i>Ab initio</i> calculations using optimized contracted basis sets

Patricio F. Provasi, Gustavo A. Aucar, Stephan P. A. Sauer · The Journal of Chemical Physics · 2001 · 275 citations · Full text

Natural Sciences, Chemistry, Physics +16