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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

collaborators

11 papers

cond-mat.str-el20216 cited

Spatial non-locality of electronic correlations beyond GW approximation

Andrey L. Kutepov

The question of spatial locality of electronic correlations beyond GW approximation is one of the central issues of the famous combination of GW and dynamical mean field theory, GW…

cond-mat.mtrl-sci202115 cited

Electronic structure of LaNiO and CaCuO from self consistent vertex corrected GW approach

Andrey L. Kutepov

Electronic structure of one of the nickelates (LaNiO) and one of the cuprates (CaCuO) 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 from self consistent vertex corrected GW approaches

Andrey L. Kutepov

Electronic structure of layered van der Waals ferromagnet CrI 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-sci202028 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…