A. Kutepov

activity

20172021

most citedElimination of the linearization error in APW/LAPW basis set: Dirac-Kohn-Sham equations

28 citations · 79 across the 5 of their papers we have counts for

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7 papers · 1 filter

cond-mat.mtrl-sci2021★ 15 cited

Electronic structure of LaNiO $_{2}$ and CaCuO $_{2}$ from self consistent vertex corrected GW approach

Andrey L. Kutepov

Electronic structure of one of the nickelates (LaNiO $_{2}$ ) and one of the cuprates (CaCuO $_{2}$ ) is studied with three self consistent GW-based methods: scGW, sc(GW+Vertex), and q…

cond-mat.mtrl-sci2021

Electronic structure of van der Waals ferromagnet CrI $_{3}$ from self consistent vertex corrected GW approaches

Andrey L. Kutepov

Electronic structure of layered van der Waals ferromagnet CrI $_{3}$ is studied with self consistent diagrammatic approaches beyond GW approximation. Considerable improvement in the…

cond-mat.mtrl-sci2020

Atomic forces from Dirac-Kohn-Sham equations: Implementation in flexible (APW+lo/LAPW)+LO basis set

Andrey L. Kutepov

Atomic forces formulation based on the Dirac-Kohn-Sham equation and flexible (APW+lo/LAPW)+LO basis set is presented. The formulation was implemented in the code FlapwMBPT and allo…

cond-mat.mtrl-sci2020★ 28 cited

Elimination of the linearization error in APW/LAPW basis set: Dirac-Kohn-Sham equations

Andrey L. Kutepov

A detailed account of the implementation of equations of the Relativistic Density Functional Theory (RDFT) using basis sets of APW/LAPW type with flexible extensions provided by lo…

cond-mat.mtrl-sci2019

Self-consistent GW method: O(N) algorithm for polarizability and self energy

Andrey L. Kutepov

An efficient implementation of the self-consistent GW method in the FlapwMBPT code (https://www.bnl.gov/cmpmsd/flapwmbpt/) is presented. It features the evaluation of polarizabilit…

cond-mat.mtrl-sci2018

Electronic structure and thermoelectric properties of CoAsSb with post-DFT approaches

Andrey L. Kutepov, Anthony Ruth

We study the electronic structure and thermoelectric properties of recently synthesized CoAsSb. The calculated bandgap becomes more accurate for increasingly-complex electronic str…

Electronic structure of LaNiO2​ and CaCuO2​ from self consistent vertex corrected GW approach

Electronic structure of van der Waals ferromagnet CrI3​ from self consistent vertex corrected GW approaches

Atomic forces from Dirac-Kohn-Sham equations: Implementation in flexible (APW+lo/LAPW)+LO basis set

Elimination of the linearization error in APW/LAPW basis set: Dirac-Kohn-Sham equations

Self-consistent GW method: O(N) algorithm for polarizability and self energy

Electronic structure and thermoelectric properties of CoAsSb with post-DFT approaches

Electronic structure of LaNiO $_{2}$ and CaCuO $_{2}$ from self consistent vertex corrected GW approach

Electronic structure of van der Waals ferromagnet CrI $_{3}$ from self consistent vertex corrected GW approaches