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The Journal of Chemical Physics
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October 3, 2015
Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit
Yongxi Zhou, Hilke Bahmann, Matthias Ernzerhof
The Journal of Chemical Physics
|
May 8, 2024
Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation
Moritz Brütting, Hilke Bahmann, Stephan Kümmel
The Journal of Chemical Physics
|
November 27, 2007
Local hybrid functionals: an assessment for thermochemical kinetics
Martin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
Journal of Chemical Theory and Computation
|
November 18, 2015
Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory
Toni M Maier, Hilke Bahmann, Martin Kaupp
The Journal of Physical Chemistry. A
|
October 24, 2009
Local hybrid functionals with an explicit dependence on spin polarization
Alexei V Arbuznikov, Hilke Bahmann, Martin Kaupp
The Journal of Chemical Physics
|
June 16, 2006
From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests
Alexei V Arbuznikov, Martin Kaupp, Hilke Bahmann
Angewandte Chemie (International Ed. in English)
|
July 7, 2022
Gauging Radical Stabilization with Carbenes
Kevin Breitwieser, Hilke Bahmann, Robert Weiss, et al.
The Journal of Chemical Physics
|
September 22, 2014
Communication: A non-empirical correlation factor model for the exchange-correlation energy
Jana Přecechtělová, Hilke Bahmann, Martin Kaupp, et al.
The Journal of Chemical Physics
|
January 11, 2007
A thermochemically competitive local hybrid functional without gradient corrections
Hilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, et al.
The Journal of Physical Chemistry. A
|
July 14, 2011
Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic data
Kolja Theilacker, Alexei V Arbuznikov, Hilke Bahmann, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 23) with videos related to
Sort By:
Page
of 3
The Journal of Chemical Physics
|
October 3, 2015
Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit
Yongxi Zhou, Hilke Bahmann, Matthias Ernzerhof
The Journal of Chemical Physics
|
May 8, 2024
Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation
Moritz Brütting, Hilke Bahmann, Stephan Kümmel
The Journal of Chemical Physics
|
November 27, 2007
Local hybrid functionals: an assessment for thermochemical kinetics
Martin Kaupp, Hilke Bahmann, Alexei V Arbuznikov
Journal of Chemical Theory and Computation
|
November 18, 2015
Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory
Toni M Maier, Hilke Bahmann, Martin Kaupp
The Journal of Physical Chemistry. A
|
October 24, 2009
Local hybrid functionals with an explicit dependence on spin polarization
Alexei V Arbuznikov, Hilke Bahmann, Martin Kaupp
The Journal of Chemical Physics
|
June 16, 2006
From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests
Alexei V Arbuznikov, Martin Kaupp, Hilke Bahmann
Angewandte Chemie (International Ed. in English)
|
July 7, 2022
Gauging Radical Stabilization with Carbenes
Kevin Breitwieser, Hilke Bahmann, Robert Weiss, et al.
The Journal of Chemical Physics
|
September 22, 2014
Communication: A non-empirical correlation factor model for the exchange-correlation energy
Jana Přecechtělová, Hilke Bahmann, Martin Kaupp, et al.
The Journal of Chemical Physics
|
January 11, 2007
A thermochemically competitive local hybrid functional without gradient corrections
Hilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, et al.
The Journal of Physical Chemistry. A
|
July 14, 2011
Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic data
Kolja Theilacker, Alexei V Arbuznikov, Hilke Bahmann, et al.
Page
of 3