Следене
Hilke Bahmann
Заглавие
Позовавания
Позовавания
Година
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
1622007
Local hybrid functionals: An assessment for thermochemical kinetics
M Kaupp, H Bahmann, AV Arbuznikov
The Journal of chemical physics 127 (19), 194102, 2007
1102007
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
982006
Efficient self-consistent implementation of local hybrid functionals
H Bahmann, M Kaupp
Journal of Chemical Theory and Computation 11 (4), 1540-1548, 2015
972015
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
862006
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
852016
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
742015
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
562009
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
512016
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
452014
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
452014
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
452011
Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz
H Bahmann, M Ernzerhof
The Journal of chemical physics 128 (23), 234104, 2008
422008
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
392015
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
362016
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
322015
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
302020
Gauging Radical Stabilization with Carbenes
K Breitwieser, H Bahmann, R Weiss, D Munz
Angewandte Chemie International Edition, 0
27
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
242022
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
232023
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