Перегляд за автором "Zhikol, O.A."

Результати 1-3 з 3

A semiempirical description of functionalized nanodiamonds with NV- color centers

Luzanov, A.V.; Zhikol, O.A.; Omelchenko, I.V.; Nizovtsev, A.P.; Kilin, S.Ya.; Puchkarchuk, A.L.; Puchkarchuk, V.A. (Functional Materials, 2016)

Possibilities of semiempirical AM1 method in descripting the nanodiamond spectral properties are investigated with the stress on the relevant functionalized systems containing nitrogen-vacancy color centers. We studied two ...
Excited state structural analysis (ESSA) for correlated states of spin-flip type: application to electronic excitations in nanodiamonds with defects

Luzanov, A.V.; Zhikol, O.A. (Functional Materials, 2016)

The previously developed ESSA for configuration interaction singles (CIS) method is extended to a more rigorous many-body theory of excited states based on spin-flip (SF) transformations. The so-called SF-CIS (SF approach ...
Use of density functional theory for modeling optical properties of vacancy defects in nanoclusters of various SiC polytypes

Zhikol, O.A.; Luzanov, A.V.; Omelchenko, I.V.; Pushkarchuk, A.L.; Pushkarchuk, V.A.; Nizovstev, A.P.; Kilin, S.Ya.; Bezyazychnaya, T.V.; Kuten', S.A. (Functional Materials, 2018)

We studied electronic properties of the ground and lowest excited states of SiC defective nanoclusters falling into 3C, 2H and 4H polymorphic types. The standard time-dependent DFT method was used along with the economical ...

Результати 1-3 з 3

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