Title
The March model applied to boron cages The March model applied to boron cages
Author
Faculty/Department
Faculty of Sciences. Physics
Publication type
article
Publication
Amsterdam ,
Subject
Physics
Chemistry
Source (journal)
Chemical physics letters. - Amsterdam
Volume/pages
347(2001) :4-6 , p. 459-464
ISSN
0009-2614
ISI
000171825100029
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The so-called March model of fullerene, in which a self-consistent spherical distribution of pi electrons is combined with the proper nuclear-nuclear potential energy for the correct structure, is here extended to boron cages. The Thomas-Fermi approximation of the initial studies is here replaced by Hartree-Fock calculations. Explicit results for B-2k and B-2k+1(+), with k ranging from 15 to 27, are discussed and compared with calculations on similar clusters found in the literature. (C) 2001 Elsevier Science B.V. All rights reserved.
E-info
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