Electronic structure of spherical quantum dots using coupled cluster method

TitleElectronic structure of spherical quantum dots using coupled cluster method
Publication TypeJournal Article
Year of Publication2007
AuthorsHeidari, I, Pal, S, Pujari, BS, Kanhere, DG
JournalJournal of Chemical Physics
Volume127
Issue11
Pagination114708
Date PublishedSEP
Type of ArticleArticle
ISSN0021-9606
Abstract

2, 6, 12, and 20 electron quantum dots have been studied using coupled cluster at singles and doubles level and extensive multireference coupled cluster (MRCC) method. A Fock-space version of MRCC (FSMRCC) containing single hole-particle excited determinants has been used to calculate low-lying excited states of the above system. The ionization potential and electron affinity are also calculated. The effect of correlation energy on excitation energy and charge density is shown by calculating them at the high density region (low value of density parameter r(s)) and at the low density region (high value of density parameter r(s)). (c) 2007 American Institute of Physics.

DOI10.1063/1.2768523
Type of Journal (Indian or Foreign)Foreign
Impact Factor (IF)2.894
Divison category: 
Physical and Materials Chemistry