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Jannis Erhard
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Gallium-rich Pd–Ga phases as supported liquid metal catalysts
N Taccardi, M Grabau, J Debuschewitz, M Distaso, M Brandl, R Hock, ...
Nature chemistry 9 (9), 862-867, 2017
2612017
Power series approximation for the correlation kernel leading to Kohn-Sham methods combining accuracy, computational efficiency, and general applicability
J Erhard, P Bleiziffer, A Görling
Physical Review Letters 117 (14), 143002, 2016
752016
Spectroscopic observation and molecular dynamics simulation of Ga surface segregation in liquid Pd–Ga alloys
M Grabau, J Erhard, N Taccardi, SK Calderon, P Wasserscheid, A Görling, ...
Chemistry–A European Journal 23 (70), 17701-17706, 2017
212017
Scaled σ-functionals for the Kohn–Sham correlation energy with scaling functions from the homogeneous electron gas
J Erhard, S Fauser, E Trushin, A Görling
The Journal of Chemical Physics 157 (11), 2022
112022
Gallium-rich Pd-Ga phases as supported liquid metal catalysts, Nat
N Taccardi, M Grabau, J Erhard
Chem 9, 862-867, 2017
42017
Numerically stable inversion approach to construct Kohn–Sham potentials for given electron densities within a Gaussian basis set framework
J Erhard, E Trushin, A Görling
The Journal of Chemical Physics 156 (20), 2022
12022
New density-functional approximations and beyond: general discussion
JG Brandenburg, K Burke, A Cancio, J Erhard, E Fromager, A Ghosal, ...
Faraday Discussions 224, 166-200, 2020
12020
Lieb–Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem
J Erhard, S Fauser, S Kalaß, E Moerman, E Trushin, A Görling
Faraday Discussions 224, 79-97, 2020
12020
Basis Set Requirements of σ-Functionals for Gaussian-and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals
S Fauser, A Förster, L Redeker, C Neiss, J Erhard, E Trushin, ...
Journal of Chemical Theory and Computation 20 (6), 2404-2422, 2024
2024
Improvement of Kohn-Sham methods based on the adiabatic-connection fluctuation-dissipation theorem
J Erhard
2023
Optimized power series approximation for the correlation kernel for highly accurate and generally applicable Kohn-Sham methods based on the adiabatic-connection fluctuation …
A Goerling, J Erhard
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 255, 2018
2018
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