Journal
CHEMICAL PHYSICS LETTERS
Volume 347, Issue 4-6, Pages 459-464Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(01)01071-5
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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.
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