Timo Lebeda

Right band gaps for the right reason at low computational cost with a meta-GGA

Timo Lebeda, Thilo Aschebrock, Jianwei Sun et al. · Physical Review Materials · 2023 · 30 citations · Full text

Engineering, Halide Perovskites, Computational Chemistry +18

First steps towards achieving both ultranonlocality and a reliable description of electronic binding in a meta-generalized gradient approximation

Timo Lebeda, Thilo Aschebrock, Stephan Kümmel · Physical Review Research · 2022 · 19 citations · Full text

Engineering, Computational Chemistry, Chemistry +16

Exact exchange-like electric response from a meta-generalized gradient approximation: A semilocal realization of ultranonlocality

Thilo Aschebrock, Timo Lebeda, Moritz Brütting et al. · The Journal of Chemical Physics · 2023 · 18 citations · Full text

Engineering, Excitation Energy Transfer, Microlocal Analysis +19

Balancing the Contributions to the Gradient Expansion: Accurate Binding and Band Gaps with a Nonempirical Meta-GGA

Timo Lebeda, Thilo Aschebrock, Stephan Kümmel · Physical Review Letters · 2024 · 16 citations