3 papers
cond-mat.str-el2025
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…
physics.chem-ph2025
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…
cond-mat.supr-con2024
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…