145 citations · 1.1k across the 25 of their papers we have counts for
26 papers
Interplay between magnetism and band topology in Kagome magnets MnSn
Y. Lee, R. Skomski, X. Wang +9
Kagome-lattice magnets MnSn recently emerged as a new platform to exploit the interplay between magnetism and topological electronic states. Some of the most exciting fe…
The relativistic 5f electronic structure of delocalized -U and localized -Pu from the self consistent vertex corrected GW approach and X-ray Emission Spectroscopy
A. L. Kutepov, J. G. Tobin, S. -W. Yu +8
The recently developed self-consistent vertex corrected GW method is used to calculate the 5f electronic structure in delocalized -U and localized -Pu, each of which is confi…
Full versus quasi-particle self consistency in vertex corrected GW approaches
Andrey L. Kutepov
Using seven semiconductors/insulators with band gaps covering the range from 1 eV to 10 eV we systematically explore the performance of two different variants of self-consistency a…
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…
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…
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…
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…
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…
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…
Vertex corrections in self-consistent GW calculations: ground state properties of vanadium
Andrey L Kutepov
Self-consistent vertex corrected GW calculations have been performed to evaluate the equilibrium volume and corresponding bulk modulus of 3d transition metal vanadium. The study de…
ComDMFT: a Massively Parallel Computer Package for the Electronic Structure of Correlated-Electron Systems
Sangkook Choi, Patrick Semon, Byungkyun Kang +2
ComDMFT is a massively parallel computational package to study the electronic structure of correlated-electron systems (CES). Our approach is a parameter-free method based on ab in…
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…
Ground state properties of 3d metals from self-consistent GW approach
Andrey L. Kutepov
Self consistent GW approach (scGW) has been applied to calculate the ground state properties (equilibrium Wigner-Seitz radius and bulk modulus ) of 3d transition metals…
Spin-density fluctuations and the fluctuation-dissipation theorem in 3d ferromagnetic metals
A. L. Wysocki, V. N. Valmispild, A. Kutepov +5
Spatial and time scales of spin density fluctuations (SDF) were analyzed in 3d ferromagnets using ab initio linear response calculations of complete wavevector and energy dependenc…
Self-consistent solution of Hedin's equations: semiconductors/insulators
Andrey L. Kutepov
The band gaps of a few selected semiconductors/insulators are obtained from the self-consistent solution of the Hedin's equations. Two different schemes to include the vertex corre…
Strength and scales of itinerant spin fluctuations in 3d paramagnetic metals
Aleksander L. Wysocki, Andrey Kutepov, Vladimir P. Antropov
The full spin density fluctuations (SDF) spectra in 3d paramagnetic metals are analyzed from first principles using the linear response technique. Using the calculated complete wav…
Linearized self-consistent quasiparticle GW method: Application to semiconductors and simple metals
Andrey L. Kutepov, Viktor S. Oudovenko, Gabriel Kotliar
We present a code implementing the linearized self-consistent quasiparticle GW method (scQPGW) in the LAPW basis. Our approach is based on the linearization of the self-energy arou…
Electronic structure of Na, K, Si, and LiF from self-consistent solution of Hedin's equations including vertex corrections
Andrey L. Kutepov
A few self-consistent schemes to solve the Hedin equations are presented. They include vertex corrections of different complexity. Commonly used quasiparticle approximation for the…
First-principles treatment of Mott insulators: linearized QSGW+DMFT approach
Sangkook Choi, Andrey Kutepov, Kristjan Haule +2
The theoretical understanding of emergent phenomena in quantum materials is one of the greatest challenges in condensed matter physics. In contrast to simple materials such as nobl…
Full self-consistency versus quasiparticle self-consistency in diagrammatic approaches: Exactly solvable two-site Hubbard Model
A. L. Kutepov
Self-consistent solutions of Hedin's diagrammatic theory equations (HE) for the two-site Hubbard Model (HM) have been studied. They have been found for three-point vertices of incr…
Magnetic anisotropic effects and electronic correlations in MnBi ferromagnet
V. P. Antropov, V. N. Antonov, L. V. Bekenov +2
The electronic structure and numerous magnetic properties of MnBi magnetic systems are investigated using local spin density approximation (LSDA) with on-cite Coulomb correlations…
Electronic structure of Pu and Am metals by self consistent relativistic GW
A. Kutepov, K. Haule, S. Y. Savrasov +1
We present the results of calculations for Pu and Am performed using an implementation of self-consistent relativistic GW method. The key feature of our scheme is to evaluate polar…
Correlation-enhanced electron-phonon coupling: Applications of GW and screened hybrid functional to bismuthates, chloronitrides, and other high Tc superconductors
Z. P. Yin, A. Kutepov, G. Kotliar
We show that the electron-phonon coupling (EPC) in many materials can be significantly underestimated by the standard density functional theory (DFT) in the local density approxima…
Electronic Correlation and Transport Properties of Nuclear Fuel Materials
Quan Yin, Andrey Kutepov, Kristjan Haule +3
Actinide elements, such as uranium and plutonium, and their compounds are best known as nuclear materials. When engineering optimal fuel materials for nuclear power, important ther…