Modified participation ratio approach: application to edge-localized states in carbon nanoclusters
For nanoclusters and solids, the localization analysis of one-electron states, or MOs (molecular orbitals), is frequently provided by using the so-called participation ratio (PR) index. To this conventional PR approach, we add for each MO the new index σIPR which we define as an average fluctuation...
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| Veröffentlicht in: | Functional Materials |
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| Datum: | 2016 |
| 1. Verfasser: | |
| Format: | Artikel |
| Sprache: | English |
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НТК «Інститут монокристалів» НАН України
2016
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| Online Zugang: | https://nasplib.isofts.kiev.ua/handle/123456789/121512 |
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| Назва журналу: | Digital Library of Periodicals of National Academy of Sciences of Ukraine |
| Zitieren: | Modified participation ratio approach: application to edge-localized states in carbon nanoclusters / A.V. Luzanov // Functional Materials. — 2016. — Т. 23, № 4. — С. 599-611. — Бібліогр.: 57 назв. — англ. |