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Simplified computations of spin excitations in high-spin carbon nanoclusters and related systems
Spin excitation spectra for possible molecule-based magnetic structures are evaluated semiempirically. A simplest spin-flip model with singly-excited configurations (SF-CIS) is used. While only a small amount of electron correlation is captured by the SF-CIS scheme, it turns out to be practically us...
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| Main Author: | |
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| Format: | Article |
| Language: | English |
| Published: |
НТК «Інститут монокристалів» НАН України
2015
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| Series: | Functional Materials |
| Subjects: | |
| Online Access: | http://dspace.nbuv.gov.ua/handle/123456789/119707 |
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