The March model applied to boron cages

被引：16

作者：

Amovilli, C

March, NH

机构：

[1] Univ Pisa, Dipartimento Chim & Chim Ind, I-56126 Pisa, Italy

[2] Univ Oxford, Oxford, England

[3] Univ Antwerp, RUCA, Dept Phys, Antwerp, Belgium

来源：

CHEMICAL PHYSICS LETTERS | 2001年 / 347卷 / 4-6期

关键词：

D O I：

10.1016/S0009-2614(01)01071-5

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：459 / 464

页数：6

共 14 条

[1] New boron based nanostructured materials [J].