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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 In Proceedings of the 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.

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author
organization
publishing date
type
Chapter in Book/Report/Conference proceeding
publication status
published
subject
in
Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
volume
1906
publisher
American Institute of Physics Inc.
conference name
International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
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
2018-01-04 09:57:33
@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 Inc.},
  title        = {The electronic structure of negatively charged fullerenes : From monomers to dimers},
  url          = {http://dx.doi.org/10.1063/1.5012303},
  volume       = {1906},
  year         = {2017},
}