Book chapter
“From global to local – hybrid density functionals\for weak and strong correlation” H. Bahmann, Chemical Modelling: Volume 16 (accepted)
Peer-reviewed articles
“Self-Consistent Implementation of Hybrid Functionals with Local Range-Separation”, S. Klawohn, H. Bahmann, J. Chem. Theory Comput. 16, 953, 2020
“The shell model for the exchange-correlation hole in the strong-correlation limit”,
H. Bahmann, Y. Zhou, M. Ernzerhof, J. Chem. Phys. 145, 124104 (2016)
“Implementation of Molecular Gradients for Local Hybrid Density Functionals Using Seminumerical Integration Techniques”, S. Klawohn, H. Bahmann, M. Kaupp, J. Chem. Theory Comput. 12, 4254 (2016)
“Validation of local hybrid functionals for TDDFT calculations of electronic excitation energies”, T. M. Maier, H. Bahmann, A. V. Arbuznikov, M. Kaupp, J. Chem. Phys. 144, 074106 (2016).
“Construction of exchange-correlation functionals through interpolation between the non-interacting and the strong-correlation limit”,
Y. Zhou, H. Bahmann, M. Ernzerhof, J. Chem. Phys. 143, 124103 (2015).
“Efficient semi-numerical implementation of global and local hybrid functionals for time-dependent density functional theory”, T. Maier, H. Bahmann, M. Kaupp, J. Chem. Theory Comput. 11, 4226 (2015).
“Design of exchange-correlation functionals through the correlation factor approach”, J. Pavlíková Prěcechtělová, H. Bahmann, M. Kaupp, M. Ernzerhof, J. Chem. Phys. 143, 144102 (2015).
“Efficient self-consistent implementation of local hybrid functionals”,
H. Bahmann, M. Kaupp, J. Chem. Theory Comput. 11, 1540 (2015).
“A non-empirical correlation factor model for the exchange-correlation energy”,
J. Prěcechtělová, H. Bahmann, M. Kaupp, M. Ernzerhof, J. Chem. Phys. 141, 111102 (2014).
“Evaluation of a combination of local hybrid functionals with DFT-D3 corrections for the calculation of thermochemical and kinetic Data”, K. Theilacker, A. Arbuznikov, H. Bahmann, M. Kaupp, J. Phys. Chem. A, 115, 8990 (2011).
“On occupied-orbital dependent exchange-correlation functionals: From local lybrids to Becke’s B05 model”, M. Kaupp, A. Arbuznikov, H. Bahmann, Z. Phys. Chem. 224, 545-567 (2010).
“Local hybrid functionals with an explicit dependence on spin polarization”, A. Arbuznikov, H. Bahmann, M. Kaupp, J. Phys. Chem. A 113, 11898–11906 (2009).
“Generalized-gradient exchange-correlation hole obtained from a correlation factor ansatz”, H. Bahmann, M. Ernzerhof, J. Chem. Phys. 128, 2341041 – 2341049 (2008).
“Local hybrid functionals: An assessment for thermochemical kinetics”, M. Kaupp, H. Bahmann, A. V. Arbuznikov, J. Chem. Phys. 127, 1941021 – 19410212 (2007).
“A thermochemically competitive local hybrid functional without gradient corrections”,
H. Bahmann, A. Rodenberg, A. V. Arbuznikov, M. Kaupp, J. Chem. Phys. 126, 0111031 – 0111034 (2007).
“Electron transmission through aromatic molecules”, M. Ernzerhof, H. Bahmann, F. Goyer, M. Zhuang, P. Rocheleau, J. Chem. Theory Comput. 2, 1291 – 1297 (2006).
“From local hybrid functionals to ‘localized local hybrid’ potentials: Formalism and thermochemical tests”, A. V. Arbuznikov, M. Kaupp, H. Bahmann, J. Chem. Phys. 124, 2041021 – 20410215 (2006).