The electronic structure of negatively charged fullerenes: From monomers to dimers

Fereshteh Naderi; Valera Veryazov

doi:10.1063/1.5012303

The electronic structure of negatively charged fullerenes: From monomers to dimers

Fereshteh Naderi, Valera Veryazov

Computational Chemistry

Islamic Azad University

Research output: Chapter in Book/Report/Conference proceeding › Paper in conference proceeding › peer-review

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.

Original language	English
Title of host publication	Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
Publisher	American Institute of Physics (AIP)
Volume	1906
ISBN (Electronic)	9780735415966
DOIs	https://doi.org/10.1063/1.5012303
Publication status	Published - 2017 Nov 28
Event	International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 - Thessaloniki, Greece Duration: 2017 Apr 21 → 2017 Apr 25

Conference

Conference	International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017
Country/Territory	Greece
City	Thessaloniki
Period	2017/04/21 → 2017/04/25

Subject classification (UKÄ)

Theoretical Chemistry

Access to Document

10.1063/1.5012303

Cite this

@inproceedings{04bf06a2681d47db9af261dcbb929cb7,

title = "The electronic structure of negatively charged fullerenes: From monomers to dimers",

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.",

author = "Fereshteh Naderi and Valera Veryazov",

year = "2017",

month = nov,

day = "28",

doi = "10.1063/1.5012303",

language = "English",

volume = "1906",

booktitle = "Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017",

publisher = "American Institute of Physics (AIP)",

address = "United States",

note = "International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017 ; Conference date: 21-04-2017 Through 25-04-2017",

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Naderi, F & Veryazov, V 2017, The electronic structure of negatively charged fullerenes: From monomers to dimers. in Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. vol. 1906, 030024, American Institute of Physics (AIP), International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017, Thessaloniki, Greece, 2017/04/21. https://doi.org/10.1063/1.5012303

The electronic structure of negatively charged fullerenes: From monomers to dimers. / Naderi, Fereshteh; Veryazov, Valera.
Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017. Vol. 1906 American Institute of Physics (AIP), 2017. 030024.

Research output: Chapter in Book/Report/Conference proceeding › Paper in conference proceeding › peer-review

TY - GEN

T1 - The electronic structure of negatively charged fullerenes

T2 - International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017

AU - Naderi, Fereshteh

AU - Veryazov, Valera

PY - 2017/11/28

Y1 - 2017/11/28

N2 - 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.

AB - 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.

U2 - 10.1063/1.5012303

DO - 10.1063/1.5012303

M3 - Paper in conference proceeding

AN - SCOPUS:85038833101

VL - 1906

BT - Proceedings of the International Conference of Computational Methods in Sciences and Engineering 2017, ICCMSE 2017

PB - American Institute of Physics (AIP)

Y2 - 21 April 2017 through 25 April 2017

ER -

The electronic structure of negatively charged fullerenes: From monomers to dimers

Abstract

Conference

Subject classification (UKÄ)

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Cite this