Sebastian Höfener
Sebastian Höfener
Bestätigte E-Mail-Adresse bei kit.edu - Startseite
Titel
Zitiert von
Zitiert von
Jahr
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
4212007
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
982011
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
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
912012
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
492008
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
472013
Coupled‐cluster frozen‐density embedding using resolution of the identity methods
S Höfener
Journal of computational chemistry 35 (23), 1716-1724, 2014
422014
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
412013
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
382012
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
362011
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), 11-19, 2008
352008
The geminal basis in explicitly correlated wave functions
S Höfener, DP Tew, W Klopper, T Helgaker
Chemical Physics 356 (1-3), 25-30, 2009
302009
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
272009
Natural transition orbitals for the calculation of correlation and excitation energies
S Höfener, W Klopper
Chemical Physics Letters 679, 52-59, 2017
262017
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
232015
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
222016
Wave Function Frozen-Density Embedding: Coupled Excitations
S Hofener, L Visscher
Journal of chemical theory and computation 12 (2), 549-557, 2016
212016
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
202012
Analytical nuclear gradients of the explicitly correlated Møller–Plesset second-order energy
S Höfener, W Klopper
Molecular Physics 108 (13), 1783-1796, 2010
192010
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes
BM Bold, M Sokolov, S Maity, M Wanko, PM Dohmen, JJ Kranz, ...
Physical Chemistry Chemical Physics 22 (19), 10500-10518, 2020
182020
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