Sebastian Höfener
Sebastian Höfener
Verified email at kit.edu - Homepage
Title
Cited by
Cited by
Year
Optimized accurate auxiliary basis sets for RI-MP2 and RI-CC2 calculations for the atoms Rb to Rn
A Hellweg, C Hättig, S Höfener, W Klopper
Theoretical Chemistry Accounts 117 (4), 587-597, 2007
3302007
Scope and limitations of the SCS-MP2 method for stacking and hydrogen bonding interactions
RA Bachorz, FA Bischoff, S Höfener, W Klopper, P Ottiger, R Leist, JA Frey, ...
Physical Chemistry Chemical Physics 10 (19), 2758-2766, 2008
982008
The MP2‐F12 method in the TURBOMOLE program package
RA Bachorz, FA Bischoff, A Glöß, C Hättig, S Höfener, W Klopper, DP Tew
Journal of computational chemistry 32 (11), 2492-2513, 2011
882011
Molecular properties via a subsystem density functional theory formulation: A common framework for electronic embedding
S Höfener, A Severo Pereira Gomes, L Visscher
The Journal of chemical physics 136 (4), 044104, 2012
812012
Slater-type geminals in explicitly-correlated perturbation theory: application to n-alkanols and analysis of errors and basis-set requirements
S Höfener, FA Bischoff, A Glöß, W Klopper
Physical Chemistry Chemical Physics 10 (23), 3390-3399, 2008
472008
Solvatochromic shifts from coupled-cluster theory embedded in density functional theory
S Höfener, ASP Gomes, L Visscher
The Journal of chemical physics 139 (10), 104106, 2013
402013
Coupled‐cluster frozen‐density embedding using resolution of the identity methods
S Höfener
Journal of computational chemistry 35 (23), 1716-1724, 2014
382014
Calculation of electronic excitations using wave-function in wave-function frozen-density embedding
S Höfener, L Visscher
The Journal of Chemical Physics 137 (20), 204120, 2012
362012
Effects of counterpoise correction and basis set extrapolation on the MP2 geometries of hydrogen bonded dimers of ammonia, water, and hydrogen fluoride
AD Boese, G Jansen, M Torheyden, S Höfener, W Klopper
Physical Chemistry Chemical Physics 13 (3), 1230-1238, 2011
342011
Explicitly correlated second-order perturbation theory calculations on molecules containing heavy main-group elements
FA Bischoff, S Höfener, A Glöß, W Klopper
Theoretical Chemistry Accounts 121 (1-2), 11-19, 2008
342008
Fluorescence behavior of (selected) flavonols: a combined experimental and computational study
S Höfener, PC Kooijman, J Groen, F Ariese, L Visscher
Physical Chemistry Chemical Physics 15 (30), 12572-12581, 2013
312013
The geminal basis in explicitly correlated wave functions
S Höfener, DP Tew, W Klopper, T Helgaker
Chemical Physics 356 (1-3), 25-30, 2009
292009
Origin of the Argon Nanocoating Shift in the OH Stretching Fundamental of n-Propanol: A Combined Experimental and Quantum Chemical Study
JJ Lee, S Höfener, W Klopper, TN Wassermann, MA Suhm
The Journal of Physical Chemistry C 113 (25), 10929-10938, 2009
242009
Natural transition orbitals for the calculation of correlation and excitation energies
S Höfener, W Klopper
Chemical Physics Letters 679, 52-59, 2017
212017
Numerically accurate linear response-properties in the configuration-interaction singles (CIS) approximation
JS Kottmann, S Höfener, FA Bischoff
Physical Chemistry Chemical Physics 17 (47), 31453-31462, 2015
212015
Wave Function Frozen-Density Embedding: Coupled Excitations
S Hofener, L Visscher
Journal of chemical theory and computation 12 (2), 549-557, 2016
192016
Computing UV/vis spectra using a combined molecular dynamics and quantum chemistry approach: bis-triazin-pyridine (BTP) ligands studied in solution
S Höfener, M Trumm, C Koke, J Heuser, U Ekström, A Skerencak-Frech, ...
Physical Chemistry Chemical Physics 18 (11), 7728-7736, 2016
182016
Relativistic and Non‐Relativistic Electronic Molecular‐Structure Calculations for Dimers of 4p‐, 5p‐, and 6p‐Block Elements
S Höfener, R Ahlrichs, S Knecht, L Visscher
ChemPhysChem 13 (17), 3952-3957, 2012
182012
Analytical nuclear gradients of the explicitly correlated Møller–Plesset second-order energy
S Höfener, W Klopper
Molecular Physics 108 (13), 1783-1796, 2010
182010
Photophysical Properties of Benzoylgermane and para‐Substituted Derivatives: Substituent Effects on Electronic Transitions
W Feuerstein, S Höfener, W Klopper, I Lamparth, N Moszner, ...
ChemPhysChem 17 (21), 3460-3469, 2016
132016
The system can't perform the operation now. Try again later.
Articles 1–20