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The Electronic Structure of Negatively Charged Fullerenes: from Monomers to Dimers.

Authors :
Naderi, Fereshteh
Veryazov, Valera
Source :
AIP Conference Proceedings; 2017, Vol. 1906 Issue 1, p1-4, 4p, 2 Black and White Photographs, 2 Charts
Publication Year :
2017

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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
0094243X
Volume :
1906
Issue :
1
Database :
Complementary Index
Journal :
AIP Conference Proceedings
Publication Type :
Conference
Accession number :
126489603
Full Text :
https://doi.org/10.1063/1.5012303