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 | 261 | 2017 |
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 | 75 | 2016 |
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 | 21 | 2017 |
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 | 11 | 2022 |
Gallium-rich Pd-Ga phases as supported liquid metal catalysts, Nat N Taccardi, M Grabau, J Erhard Chem 9, 862-867, 2017 | 4 | 2017 |
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 | 1 | 2022 |
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 | 1 | 2020 |
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 | 1 | 2020 |
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 |