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The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation
Joint Authors
Chilkuri, Vijay Gopal
Evangelisti, Stefano
Leininger, Thierry
Monari, Antonio
Source
Advances in Condensed Matter Physics
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-14, 14 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-10-12
Country of Publication
Egypt
No. of Pages
14
Main Subjects
Abstract EN
This paper presents a tight binding and ab initio study of finite zig-zag nanotubes of various diameters and lengths.
The vertical energy spectra of such nanotubes are presented, as well as their spin multiplicities.
The calculations performed using the tight binding approach show the existence of quasi-degenerate orbitals located around the Fermi level, thus suggesting the importance of high-quality ab initio methods, capable of a correct description of the nondynamical correlation.
Such approaches (Complete Active Space SCF and Multireference Perturbation Theory calculations) were used in order to get accurate ground and nearest excited-state energies, along with the corresponding spin multiplicities.
American Psychological Association (APA)
Chilkuri, Vijay Gopal& Evangelisti, Stefano& Leininger, Thierry& Monari, Antonio. 2015. The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation. Advances in Condensed Matter Physics،Vol. 2015, no. 2015, pp.1-14.
https://search.emarefa.net/detail/BIM-1052265
Modern Language Association (MLA)
Chilkuri, Vijay Gopal…[et al.]. The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation. Advances in Condensed Matter Physics No. 2015 (2015), pp.1-14.
https://search.emarefa.net/detail/BIM-1052265
American Medical Association (AMA)
Chilkuri, Vijay Gopal& Evangelisti, Stefano& Leininger, Thierry& Monari, Antonio. The Electronic Structure of Short Carbon Nanotubes: The Effects of Correlation. Advances in Condensed Matter Physics. 2015. Vol. 2015, no. 2015, pp.1-14.
https://search.emarefa.net/detail/BIM-1052265
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1052265