Publications by authors named "Egor Trushin"

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Mixed Gaussian and plane wave basis set implementation of the random phase approximation and of σ-functionals within the program package CP2K.
Raviraj Mandalia, Egor Trushin, Frederick Stein, Thomas D Kühne, Andreas Görling

J Chem Phys· December 2025

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Analyzing the response of exchange-correlation potentials of chain-like molecules to electric fields by Kohn-Sham inversion and evaluation of the response within the random phase approximation.
Egor Trushin, Raviraj Mandalia, Andreas Görling

J Chem Phys· December 2025

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Trushin et al. Reply.
Egor Trushin, Steffen Fauser, Andreas Mölkner, Jannis Erhard, Andreas Görling

Phys Rev Lett· July 2025

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Assessment of RPA and σ-functional methods for the calculation of dipole moments and static polarizabilities and hyperpolarizabilities.
Raviraj Mandalia, Steffen Fauser, Egor Trushin, Andreas Görling

J Chem Phys· May 2025

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Highly precise values for the energy ratios underlying the Lieb-Oxford bound and the convexity conjecture for the adiabatic connection.
Steffen Fauser, Egor Trushin, Andreas Görling

J Chem Phys· April 2025

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Improving Exchange-Correlation Potentials of Standard Density Functionals with the Optimized-Effective-Potential Method for Higher Accuracy of Excitation Energies.
Egor Trushin, Andreas Görling

J Chem Theory Comput· February 2025

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Kohn-Sham inversion for open-shell systems.
Jannis Erhard, Egor Trushin, Andreas Görling

J Chem Phys· January 2025

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Accurate Correlation Potentials from the Self-Consistent Random Phase Approximation.
Egor Trushin, Steffen Fauser, Andreas Mölkner, Jannis Erhard, Andreas Görling

Phys Rev Lett· January 2025

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Basis Set Requirements of σ-Functionals for Gaussian- and Slater-Type Basis Functions and Comparison with Range-Separated Hybrid and Double Hybrid Functionals.
Steffen Fauser, Arno Förster, Leon Redeker, Christian Neiss, Jannis Erhard, Egor Trushin

J Chem Theory Comput· March 2024

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Avoiding spin contamination and spatial symmetry breaking by exact-exchange-only optimized-effective-potential methods within the symmetrized Kohn-Sham framework.
Egor Trushin, Andreas Görling

J Chem Phys· December 2023

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Scaled σ-functionals for the Kohn-Sham correlation energy with scaling functions from the homogeneous electron gas.
Jannis Erhard, Steffen Fauser, Egor Trushin, Andreas Görling

J Chem Phys· September 2022

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Numerically stable inversion approach to construct Kohn-Sham potentials for given electron densities within a Gaussian basis set framework.
Jannis Erhard, Egor Trushin, Andreas Görling

J Chem Phys· May 2022

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Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues.
Steffen Fauser, Egor Trushin, Christian Neiss, Andreas Görling

J Chem Phys· October 2021

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Numerically stable optimized effective potential method with standard Gaussian basis sets.
Egor Trushin, Andreas Görling

J Chem Phys· August 2021

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Toward chemical accuracy at low computational cost: Density-functional theory with σ-functionals for the correlation energy.
Egor Trushin, Adrian Thierbach, Andreas Görling

J Chem Phys· January 2021

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Lieb-Oxford bound and pair correlation functions for density-functional methods based on the adiabatic-connection fluctuation-dissipation theorem.
Jannis Erhard, Steffen Fauser, Simon Kalaß, Evgeny Moerman, Egor Trushin

Faraday Discuss· December 2020

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Topological Phase Transitions in Zinc-Blende Semimetals Driven Exclusively by Electronic Temperature.
Egor Trushin, Andreas Görling

Phys Rev Lett· April 2018

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Understanding band gaps of solids in generalized Kohn-Sham theory.
John P Perdew, Weitao Yang, Kieron Burke, Zenghui Yang, Eberhard K U Gross, Egor Trushin

Proc Natl Acad Sci U S A· March 2017

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The nature of one-dimensional carbon: polyynic versus cumulenic.
Christian Neiss, Egor Trushin, Andreas Görling

Chemphyschem· August 2014

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