The electronic structure of negatively charged fullerenes : From monomers to dimers
Naderi, Fereshteh and Veryazov, Valera LU
(2017)
International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
1906.
- Abstract
Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C60 and fullerene dimers C120. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/04bf06a2-681d-47db-9af2-61dcbb929cb7
- author
- Naderi, Fereshteh
and Veryazov, Valera
LU
- organization
- publishing date
- 2017-11-28
- type
- Chapter in Book/Report/Conference proceeding
- publication status
- published
- subject
- host publication
- Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
- volume
- 1906
- article number
- 030024
- publisher
- American Institute of Physics (AIP)
- conference name
- International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
- conference location
- Thessaloniki, Greece
- conference dates
- 2017-04-21 - 2017-04-25
- external identifiers
-
- scopus:85038833101
- ISBN
- 9780735415966
- DOI
- 10.1063/1.5012303
- language
- English
- LU publication?
- yes
- id
- 04bf06a2-681d-47db-9af2-61dcbb929cb7
- date added to LUP
- 2018-01-04 09:57:33
- date last changed
- 2023-04-08 05:12:01
@inproceedings{04bf06a2-681d-47db-9af2-61dcbb929cb7,
abstract = {{<p>Multiconfigurational second order perturbation theory was employed in order to describe the ground and excited states of negatively charged fullerenes C<sub>60</sub> and fullerene dimers C<sub>120</sub>. The calculations were performed for all possible spin states. The obtained results can be used to understand the electronic structure of fullerides.</p>}},
author = {{Naderi, Fereshteh and Veryazov, Valera}},
booktitle = {{Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017}},
isbn = {{9780735415966}},
language = {{eng}},
month = {{11}},
publisher = {{American Institute of Physics (AIP)}},
title = {{The electronic structure of negatively charged fullerenes : From monomers to dimers}},
url = {{http://dx.doi.org/10.1063/1.5012303}},
doi = {{10.1063/1.5012303}},
volume = {{1906}},
year = {{2017}},
}