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Bond energies of small metal clusters

โœ Scribed by Karl A. Gingerich; I. Shim; S.K. Gupta; J.E. Kingcade Jr.


Publisher
Elsevier Science
Year
1985
Weight
51 KB
Volume
156
Category
Article
ISSN
0167-2584

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๐Ÿ“œ SIMILAR VOLUMES


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## Abstract A new approach is suggested to the assignment of bond energies in molecules and clusters. It uses a shareholder principle for the redistribution of the shifts in atomic energies, which arise in a molecule, on the bonds. The scheme is directly suitable for semiempirical methods, where on

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The ab initio many-body model potentials for the Li and Be clusters 3 3 are constructed. Analysis of its exchange and dispersion contributions allows to elucidate the nature of binding in these clusters. The Li clusters are formed by the covalent 3 chemical bonding, although the interstitial orbital