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The March model applied to boron cages
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| Author |
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| Abstract |
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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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English
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| Source (journal) |
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Chemical physics letters. - Amsterdam |
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| Publication |
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Amsterdam : 2001
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0009-2614
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347:4-6(2001), p. 459-464
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| ISI |
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000171825100029
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