A thermochemically competitive local hybrid functional without gradient corrections H Bahmann, A Rodenberg, AV Arbuznikov, M Kaupp The Journal of chemical physics 126 (1), 011103, 2007 | 158 | 2007 |
Local hybrid functionals: An assessment for thermochemical kinetics M Kaupp, H Bahmann, AV Arbuznikov The Journal of chemical physics 127 (19), 194102, 2007 | 108 | 2007 |
Electron transmission through aromatic molecules M Ernzerhof, H Bahmann, F Goyer, M Zhuang, P Rocheleau Journal of Chemical Theory and Computation 2 (5), 1291-1297, 2006 | 97 | 2006 |
Efficient self-consistent implementation of local hybrid functionals H Bahmann, M Kaupp Journal of Chemical Theory and Computation 11 (4), 1540-1548, 2015 | 96 | 2015 |
From local hybrid functionals to “localized local hybrid” potentials: Formalism and thermochemical tests AV Arbuznikov, M Kaupp, H Bahmann The Journal of chemical physics 124 (20), 204102, 2006 | 84 | 2006 |
Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies TM Maier, H Bahmann, AV Arbuznikov, M Kaupp The Journal of chemical physics 144 (7), 074106, 2016 | 82 | 2016 |
Efficient semi-numerical implementation of global and local hybrid functionals for time-dependent density functional theory TM Maier, H Bahmann, M Kaupp Journal of Chemical Theory and Computation 11 (9), 4226-4237, 2015 | 73 | 2015 |
Local Hybrid Functionals with an Explicit Dependence on Spin Polarization† AV Arbuznikov, H Bahmann, M Kaupp The Journal of Physical Chemistry A 113 (43), 11898-11906, 2009 | 55 | 2009 |
Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques S Klawohn, H Bahmann, M Kaupp Journal of Chemical Theory and Computation 12 (9), 4254-4262, 2016 | 50 | 2016 |
Communication: A non-empirical correlation factor model for the exchange-correlation energy J Přecechtělová, H Bahmann, M Kaupp, M Ernzerhof The Journal of chemical physics 141 (11), 111102, 2014 | 45 | 2014 |
Communication: A non-empirical correlation factor model for the exchange-correlation energy J Přecechtělová, H Bahmann, M Kaupp, M Ernzerhof The Journal of chemical physics 141 (11), 111102, 2014 | 45 | 2014 |
Evaluation of a Combination of Local Hybrid Functionals with DFT-D3 Corrections for the Calculation of Thermochemical and Kinetic Data K Theilacker, AV Arbuznikov, H Bahmann, M Kaupp The Journal of Physical Chemistry A 115 (32), 8990-8996, 2011 | 42 | 2011 |
Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz H Bahmann, M Ernzerhof The Journal of chemical physics 128 (23), 234104, 2008 | 42 | 2008 |
Design of exchange-correlation functionals through the correlation factor approach J Pavlíková Přecechtělová, H Bahmann, M Kaupp, M Ernzerhof The Journal of chemical physics 143 (14), 144102, 2015 | 39 | 2015 |
The shell model for the exchange-correlation hole in the strong-correlation limit H Bahmann, Y Zhou, M Ernzerhof The Journal of Chemical Physics 145 (12), 124104, 2016 | 36 | 2016 |
Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit Y Zhou, H Bahmann, M Ernzerhof The Journal of Chemical Physics 143 (12), 124103, 2015 | 32 | 2015 |
Self-Consistent Implementation of Hybrid Functionals with Local Range Separation S Klawohn, H Bahmann Journal of Chemical Theory and Computation 16 (2), 953-963, 2020 | 29 | 2020 |
Gauging Radical Stabilization with Carbenes K Breitwieser, H Bahmann, R Weiss, D Munz Angewandte Chemie International Edition, 0 | 24 | |
Density functionals based on the mathematical structure of the strong‐interaction limit of DFT S Vuckovic, A Gerolin, TJ Daas, H Bahmann, G Friesecke, P Gori‐Giorgi Wiley Interdisciplinary Reviews: Computational Molecular Science 13 (2), e1634, 2023 | 21 | 2023 |
Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights M Brütting, H Bahmann, S Kümmel The Journal of Chemical Physics 156 (10), 104109, 2022 | 20 | 2022 |