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The Journal of Chemical Physics|February 1, 2023
Geometries and vibrational frequencies with Kohn-Sham methods using σ-functionals for the correlation energyChristian Neiss, Steffen Fauser, Andreas GörlingThe Journal of Chemical Physics|October 9, 2021
Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvaluesSteffen Fauser, Egor Trushin, Christian Neiss, et al.Journal of Chemical Theory and Computation|March 11, 2024
Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid FunctionalsSteffen Fauser, Arno Förster, Leon Redeker, et al.The Journal of Chemical Physics|April 28, 2025
Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connectionSteffen Fauser, Egor Trushin, Andreas GörlingChemphyschem : a European Journal of Chemical Physics and Physical Chemistry|June 26, 2014
The nature of one-dimensional carbon: polyynic versus cumulenicChristian Neiss, Egor Trushin, Andreas GörlingThe Journal of Chemical Physics|May 9, 2025
Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilitiesRaviraj Mandalia, Steffen Fauser, Egor Trushin, et al.The Journal of Chemical Physics|September 22, 2022
Scaled σ-functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gasJannis Erhard, Steffen Fauser, Egor Trushin, et al.Journal of Chemical Theory and Computation|July 5, 2024
Accurate NMR Shieldings with σ-FunctionalsSteffen Fauser, Viktoria Drontschenko, Christian Ochsenfeld, et al.Journal of Molecular Modeling|October 29, 2011
Molecular mechanics modeling of azobenzene-based photoswitchesPatrick Duchstein, Christian Neiss, Andreas Görling, et al.Physical Review Letters|April 3, 2012
Competition for graphene: graphynes with direction-dependent Dirac conesDaniel Malko, Christian Neiss, Francesc Viñes, et al.Pageof 17