Hilke Bahmann
机构: Bergische Universität Wuppertal
每年引用次数
引用次数
引用: 1,159
H-指数: 18
I10-指数 : 21
出版物: 34
From global to local – hybrid density functionals for weak and strong correlation
Hilke Bahmann
165 -181
2021
Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies
Toni M. Maier , Hilke Bahmann , Alexei V. Arbuznikov , Martin Kaupp
Journal of Chemical Physics 144 ( 7) 074106 -074106
37
2016
From local hybrid functionals to "localized local hybrid" potentials: formalism and thermochemical tests.
Alexei V. Arbuznikov , Martin Kaupp , Hilke Bahmann
Journal of Chemical Physics 124 ( 20) 204102 -204102
59
2006
Communication: A non-empirical correlation factor model for the exchange-correlation energy.
Jana Přecechtělová , Hilke Bahmann , Martin Kaupp , Matthias Ernzerhof
Journal of Chemical Physics 141 ( 11) 111102
21
2014
Local Hybrid Functionals with an Explicit Dependence on Spin Polarization
Alexei V. Arbuznikov , Hilke Bahmann , Martin Kaupp
Journal of Physical Chemistry A 113 ( 43) 11898 -11906
33
2009
Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques
Sascha Klawohn , Hilke Bahmann , Martin Kaupp
Journal of Chemical Theory and Computation 12 ( 9) 4254 -4262
8
2016
Efficient Semi-numerical Implementation of Global and Local Hybrid Functionals for Time-Dependent Density Functional Theory.
Toni M. Maier , Hilke Bahmann , Martin Kaupp
Journal of Chemical Theory and Computation 11 ( 9) 4226 -4237
21
2015
Efficient Self-Consistent Implementation of Local Hybrid Functionals.
Hilke Bahmann , Martin Kaupp
Journal of Chemical Theory and Computation 11 ( 4) 1540 -1548
23
2015
Electron Transmission through Aromatic Molecules.
Matthias Ernzerhof , Hilke Bahmann , Francois Goyer , Min Zhuang
Journal of Chemical Theory and Computation 2 ( 5) 1291 -1297
62
2006
Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz.
Hilke Bahmann , Matthias Ernzerhof
Journal of Chemical Physics 128 ( 23) 234104 -234104
22
2008
Local hybrid functionals: An assessment for thermochemical kinetics
Martin Kaupp , Hilke Bahmann , Alexei V. Arbuznikov
Journal of Chemical Physics 127 ( 19) 194102 -194102
60
2007
Self-Consistent Implementation of Hybrid Functionals with Local Range Separation.
Sascha Klawohn , Hilke Bahmann
Journal of Chemical Theory and Computation 16 ( 2) 953 -963
1
2020
On Occupied-orbital Dependent Exchange-correlation Functionals: From Local Hybrids to Becke’s B05 Model
Martin Kaupp , Alexei Arbuznikov , Hilke Bahmann
Zeitschrift für Physikalische Chemie 224 545 -567
8
2010
Design of exchange-correlation functionals through the correlation factor approach
Jana Pavlíková Přecechtělová , Hilke Bahmann , Martin Kaupp , Matthias Ernzerhof
Journal of Chemical Physics 143 ( 14) 144102 -144102
16
2015
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
Journal of Physical Chemistry A 115 ( 32) 8990 -8996
20
2011
The shell model for the exchange-correlation hole in the strong-correlation limit
Hilke Bahmann , Yongxi Zhou , Matthias Ernzerhof
Journal of Chemical Physics 145 ( 12) 124104
24
2016
A thermochemically competitive local hybrid functional without gradient corrections
Hilke Bahmann , Alexander Rodenberg , Alexei V. Arbuznikov , Martin Kaupp
Journal of Chemical Physics 126 ( 1) 011103 -011103
77
2007
Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit
Yongxi Zhou , Hilke Bahmann , Matthias Ernzerhof
Journal of Chemical Physics 143 ( 12) 124103 -124103
21
2015
Unexpectedly flexible graphene nanoribbons with a polyacene ladder skeleton
Marvin T Unruh , Ullrich Scherf , Hilke Bahmann , Ana Clara B Rodrigues
Journal of Materials Chemistry C 9 ( 45) 16208 -16216
12
2021
Density functionals based on the mathematical structure of the strong‐interaction limit of DFT
Stefan Vuckovic , Augusto Gerolin , Kimberly J Daas , Hilke Bahmann
Wiley Interdisciplinary Reviews: Computational Molecular Science 13 ( 2) e1634 -e1634
20
2023