Dr. Egor Trushin

Sonderforschungsbereich 953/3 Synthetische Kohlenstoffallotrope Lehrstuhl für Theoretische Chemie

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 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 Numerically stable optimized effective potential method with standard Gaussian basis sets (2021) Trushin E, Görling A 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 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 Assessment of the exact-exchange-only Kohn-Sham method for the calculation of band structures for transition metal oxide and metal halide perovskites (2019) Trushin E, Fromm L, Görling A Journal article First-Principles Calculation of Triplet Exciton Diffusion in Crystalline Poly(p-phenylene vinylene) (2019) Lyskov I, Trushin E, Baragiola BQ, Schmidt TW, Cole JH, Russo SP Journal article Spin-current density-functional theory for a correct treatment of spin-orbit interactions and its application to topological phase transitions (2018) Trushin E, Görling A Journal article Assessment of quality and reliability of band structures from exact-exchange-only Kohn-Sham, hybrid, and GW methods (2018) Trushin E, Görling A Journal article