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Stephan P. A. Sauer - Publications

Affiliations: 
Department of Chemistry University of Copenhagen, København, Denmark 
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11 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2014 Aidas K, Angeli C, Bak KL, Bakken V, Bast R, Boman L, Christiansen O, Cimiraglia R, Coriani S, Dahle P, Dalskov EK, Ekström U, Enevoldsen T, Eriksen JJ, Ettenhuber P, ... ... Sauer SP, et al. The Dalton quantum chemistry program system. Wiley Interdisciplinary Reviews. Computational Molecular Science. 4: 269-284. PMID 25309629 DOI: 10.1002/Wcms.1172  0.303
2013 Sauer SP, Špirko V. Effective potential energy curves of the ground electronic state of CH+. The Journal of Chemical Physics. 138: 024315. PMID 23320691 DOI: 10.1063/1.4774374  0.387
2012 Kuhlman TS, Sauer SP, Sølling TI, Møller KB. Symmetry, vibrational energy redistribution and vibronic coupling: the internal conversion processes of cycloketones. The Journal of Chemical Physics. 137: 22A522. PMID 23249059 DOI: 10.1063/1.4742313  0.609
2010 Silva-Junior MR, Schreiber M, Sauer SP, Thiel W. Benchmarks of electronically excited states: basis set effects on CASPT2 results. The Journal of Chemical Physics. 133: 174318. PMID 21054043 DOI: 10.1063/1.3499598  0.373
2010 Bruun-Ghalbia S, Sauer SP, Oddershede J, Sabin JR. Mean excitation energies and energy deposition characteristics of bio-organic molecules. The Journal of Physical Chemistry. B. 114: 633-7. PMID 20000653 DOI: 10.1021/jp908998s  0.569
2010 Falden HH, Falster-Hansen KR, Bak KL, Rettrup S, Sauer SP. Benchmarking second order methods for the calculation of vertical electronic excitation energies: valence and Rydberg states in polycyclic aromatic hydrocarbons. The Journal of Physical Chemistry. A. 113: 11995-2012. PMID 19780572 DOI: 10.1021/jp9037123  0.343
2009 Sauer SP, Schreiber M, Silva-Junior MR, 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: 555-64. PMID 26610222 DOI: 10.1021/Ct800256J  0.405
2009 Bak KL, Sauer SP, Oddershede J, Ogilvie JF. The vibrational g-factor of dihydrogen from theoretical calculation and analysis of vibration-rotational spectra. Physical Chemistry Chemical Physics : Pccp. 7: 1747-58. PMID 19787935 DOI: 10.1039/b500992h  0.565
2008 Silva-Junior MR, Schreiber M, Sauer SP, Thiel W. Benchmarks for electronically excited states: time-dependent density functional theory and density functional theory based multireference configuration interaction. The Journal of Chemical Physics. 129: 104103. PMID 19044904 DOI: 10.1063/1.2973541  0.382
2008 Schreiber M, Silva-Junior MR, Sauer SP, Thiel W. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3. The Journal of Chemical Physics. 128: 134110. PMID 18397056 DOI: 10.1063/1.2889385  0.372
2007 Sauer SP, Oddershede J, Sabin JR. Directional dependence of the mean excitation energy and spectral moments of the dipole oscillator strength distribution of glycine and its zwitterion. The Journal of Physical Chemistry. A. 110: 8811-7. PMID 16836444 DOI: 10.1021/jp061412i  0.573
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