The March model applied to boron cages

Citation
C. Amovilli et Nh. March, The March model applied to boron cages, CHEM P LETT, 347(4-6), 2001, pp. 459-464
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
CHEMICAL PHYSICS LETTERS
ISSN journal
00092614 → ACNP
Volume
347
Issue
4-6
Year of publication
2001
Pages
459 - 464
Database
ISI
SICI code
0009-2614(20011026)347:4-6<459:TMMATB>2.0.ZU;2-X
Abstract
The so-called March model of fullerene, in which a self-consistent spherica l 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 sim ilar clusters found in the literature. (C) 2001 Elsevier Science B.V. All r ights reserved.