Jannis Erhard

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Lehrstuhl für Theoretische Chemie

Publications

(9)

Violations of the v -representability condition underlying Kohn-Sham density-functional theory (2024) Trushin E, Erhard J, Görling A Journal article Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals (2024) Fauser S, Förster A, Redeker L, Neiß C, Erhard J, Trushin E, Görling A Journal article Scaled σ -functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas (2022) Erhard J, Fauser S, Trushin E, Görling A Journal article Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework (2022) Erhard J, Trushin E, Görling A Journal article Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem (2020) Erhard J, Fauser S, Moerman E, Kalaß S, Trushin E, Görling A Journal article Supported liquid metals - A new class of robust dehydrogenation catalysts (2019) Taccardi N, Grabau M, Debuschewltz J, Distaso M, Brandl M, Hock R, Maier F, et al. Conference contribution Spectroscopic Observation and Molecular Dynamics Simulation of Ga Surface Segregation in Liquid Pd-Ga Alloys (2017) Grabau M, Erhard J, Taccardi N, Krick Calderon S, Wasserscheid P, Görling A, Steinrück HP, Papp C Journal article Gallium-rich Pd-Ga phases as supported liquid metal catalysts (2017) Taccardi N, Grabau M, Debuschewitz J, Distaso M, Brandl M, Hock R, Maier F, et al. Journal article Power Series Approximation for the Correlation Kernel Leading to Kohn-Sham Methods Combining Accuracy, Computational Efficiency, and General Applicability (2016) Erhard J, Bleiziffer P, Görling A Journal article, Original article