Publications by authors named "Hilke Bahmann"

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Correction to "Combining Local Range Separation and Local Hybrids: A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional".
Moritz Brütting, Hilke Bahmann, Stephan Kümmel

J Phys Chem A· December 2025

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Combining Local Range Separation and Local Hybrids: A Step in the Quest for Obtaining Good Energies and Eigenvalues from One Functional.
Moritz Brütting, Hilke Bahmann, Stephan Kümmel

J Phys Chem A· July 2024

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Predicting fundamental gaps accurately from density functional theory with non-empirical local range separation.
Moritz Brütting, Hilke Bahmann, Stephan Kümmel

J Chem Phys· May 2024

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Nonlocal Functionals Inspired by the Strongly Interacting Limit of DFT: Exact Constraints and Implementation.
Stefan Vuckovic, Hilke Bahmann

J Chem Theory Comput· September 2023

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Gauging Radical Stabilization with Carbenes.
Kevin Breitwieser, Hilke Bahmann, Robert Weiss, Dominik Munz

Angew Chem Int Ed Engl· September 2022

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Hybrid functionals with local range separation: Accurate atomization energies and reaction barrier heights.
Moritz Brütting, Hilke Bahmann, Stephan Kümmel

J Chem Phys· March 2022

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Self-Consistent Implementation of Hybrid Functionals with Local Range Separation.
Sascha Klawohn, Hilke Bahmann

J Chem Theory Comput· February 2020

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Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques.
Sascha Klawohn, Hilke Bahmann, Martin Kaupp

J Chem Theory Comput· September 2016

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The shell model for the exchange-correlation hole in the strong-correlation limit.
Hilke Bahmann, Yongxi Zhou, Matthias Ernzerhof

J Chem Phys· September 2016

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Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies.
Toni M Maier, Hilke Bahmann, Alexei V Arbuznikov, Martin Kaupp

J Chem Phys· February 2016

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Design of exchange-correlation functionals through the correlation factor approach.
Jana Pavlíková Přecechtělová, Hilke Bahmann, Martin Kaupp, Matthias Ernzerhof

J Chem Phys· October 2015

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Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit.
Yongxi Zhou, Hilke Bahmann, Matthias Ernzerhof

J Chem Phys· September 2015

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Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory.
Toni M Maier, Hilke Bahmann, Martin Kaupp

J Chem Theory Comput· September 2015

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Efficient Self-Consistent Implementation of Local Hybrid Functionals.
Hilke Bahmann, Martin Kaupp

J Chem Theory Comput· April 2015

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Communication: A non-empirical correlation factor model for the exchange-correlation energy.
Jana Přecechtělová, Hilke Bahmann, Martin Kaupp, Matthias Ernzerhof

J Chem Phys· September 2014

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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, Martin Kaupp

J Phys Chem A· August 2011

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Local hybrid functionals with an explicit dependence on spin polarization.
Alexei V Arbuznikov, Hilke Bahmann, Martin Kaupp

J Phys Chem A· October 2009

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Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz.
Hilke Bahmann, Matthias Ernzerhof

J Chem Phys· June 2008

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Local hybrid functionals: an assessment for thermochemical kinetics.
Martin Kaupp, Hilke Bahmann, Alexei V Arbuznikov

J Chem Phys· November 2007

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A thermochemically competitive local hybrid functional without gradient corrections.
Hilke Bahmann, Alexander Rodenberg, Alexei V Arbuznikov, Martin Kaupp

J Chem Phys· January 2007

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Electron Transmission through Aromatic Molecules.
Matthias Ernzerhof, Hilke Bahmann, Francois Goyer, Min Zhuang, Philippe Rocheleau

J Chem Theory Comput· September 2006

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From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests.
Alexei V Arbuznikov, Martin Kaupp, Hilke Bahmann

J Chem Phys· May 2006

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