Journal of Chemical Physics

Journal Abbreviation: J CHEM PHYS
ISSN: 0021-9606
eISSN: 1089-7690
Publisher: AIP Publishing

Publications (224)

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Abstract

Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues (2021) Fauser S, Trushin E, Neiß C, Görling A Journal article Bandgap of two-dimensional materials: Thorough assessment of modern exchange-correlation functionals (2021) Tran F, Doumont J, Kalantari L, Blaha P, Rauch T, Borlido P, Botti S, et al. Journal article Numerically stable optimized effective potential method with standard Gaussian basis sets (2021) Trushin E, Görling A Journal article Data-driven equation for drug-membrane permeability across drugs and membranes (2021) Dutta A, Vreeken J, Ghiringhelli LM, Bereau T Journal article Light matter quantum dynamics of complex laser-driven systems (2021) Gonoskov I, Gräfe S Journal article Structural and dynamical properties of dilute gel networks in colloid–polymer mixtures (2021) Gimperlein M, Schmiedeberg M Journal article, Original article Artificial neural networks for the kinetic energy functional of non-interacting fermions (2021) Ghasemi SA, Kühne TD Journal article Are charged tips driving TERS-resolution? A full quantum chemical approach (2021) Fiederling K, Kupfer S, Gräfe S Journal article An embedded atom model for Ga-Pd systems: From intermetallic crystals to liquid alloys (2021) Wonglakhon T, Maisel S, Görling A, Zahn D Journal article Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy (2021) Trushin E, Thierbach A, Görling A Journal article