3 citations · 7 across the 5 of their papers we have counts for
6 papers
Electronic structure of the CuO monolayer in the paramagnetic phase considering the Coulomb interactions
I. A. Makarov, A. A. Slobodchikov, I. A. Nekrasov +4
The electronic structure of the CuO monolayer is investigated taking into account the intra- and interatomic Coulomb interactions on copper and oxygen atoms. Local Coulomb interact…
Time-dependent DFT-based study of bacteriochlorophyll a optical properties within the B800 part of Rhodoblastus acidophilus light-harvesting complex
Evgenia A. Kovaleva, Lyudmila V. Begunovich, Maxim M. Korshunov
We use time-dependent density functional theory-based approaches, TD-DFT and TD-DFTB, to investigate the optical absorption of B800 part of Rhodoblastus acidophilus light-harvestin…
Electronic structure and minimal models for flat and corrugated CuO monolayers: an ab initio study
A. A. Slobodchikov, I. A. Nekrasov, L. V. Begunovich +3
atomic thin monolayer () was synthesized recently. Interest in the is based on its close relation to layers in typi…
Absorption spectra of the purple nonsulfur bacteria light-harvesting complex: a DFT study of the B800 part
L. V. Begunovich, E. A. Kovaleva, M. M. Korshunov +1
We've studied the B800 part of Rhodoblastus acidophilus light-harvesting complex (LH2) by several quantum chemical techniques based on the density functional theory (DFT) and deter…
Magnetic collapse in FeSe under high pressure
L. V. Begunovich, M. M. Korshunov, S. G. Ovchinnikov
Electronic structure and magnetic properties of FeSe are calculated using the density functional approach. Due to the metallic properties, magnetic moments of the iron atom…
Band structure of organic-ion-intercalated (EMIM)FeSe superconductor
L. V. Begunovich, M. M. Korshunov
The band structure and the Fermi surface of the recently discovered superconductor (EMIM)FeSe are studied within the density functional theory in the generalized gradient appro…