About theoretical peculiarities of lowest excitations in modified nanodiamond color centers

• Published in: Functional Materials
• Date: 2017
• Main Author: Luzanov, A.V.
• Format: Article
• Language: English
• Published: НТК «Інститут монокристалів» НАН України 2017
• Subjects: Modeling and simulation
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/136658
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: About theoretical peculiarities of lowest excitations in modified nanodiamond color centers / A.V. Luzanov // Functional Materials. — 2017. — Т. 24, № 1. — С. 127-137. — Бібліогр.: 42 назв. — англ.

The moderate-size carbon nanoclusters with paramagnetic color centers are studied by using a rather good-working simplified scheme of CNDOL type. Various electronic structure aspects of the clusters are studied. These are the localization of molecular orbitas, the electronic excitation localization...