Show simple item record

dc.contributor.authorMd. Mijanur, Rahman, Dr.
dc.contributor.authorR. Badlishah, Ahmad, Prof. Dr.
dc.date.accessioned2013-08-02T02:41:13Z
dc.date.available2013-08-02T02:41:13Z
dc.date.issued2012-05
dc.identifier.citationJournal of Applied Sciences Research, vol. 8(5), 2012, pages 2574-2580en_US
dc.identifier.issn1816-157X
dc.identifier.urihttp://www.aensiweb.com/jasr/jasr_may_2012.html
dc.identifier.urihttp://dspace.unimap.edu.my/123456789/27297
dc.descriptionLink to publisher's homepage at http://www.aensiweb.comen_US
dc.description.abstractAn ab-initio calculation of the ground state of a truncated single-walled carbon nanotube was performed. For this calculation, we adopted Density Functional Theory approach which significantly reduced computational requirements through converting the problem of many-electron system with a very large dimensional configuration space into the problem of one electron moving in an effective potential in the three-dimensional real-space. We modeled a truncated signle-walled carbon nanotube by first developing a computer model of graphen and then rolling it into an arm-chair nanotube. Through successful numerical simulation, we obtained a converged ground state of the nanotube.en_US
dc.language.isoenen_US
dc.publisherAmerican-Eurasian Network for Scientific Information (AENSI)en_US
dc.subjectDensity functional theoryen_US
dc.subjectElectron densityen_US
dc.subjectSingle-walled carbon nanotubeen_US
dc.titleAb-initio calculation of the ground state of a truncated single-walled carbon nanotubeen_US
dc.typeArticleen_US
dc.contributor.urlmijanur@unimap.edu.myen_US
dc.contributor.urlbadli@unimap.edu.myen_US


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record