✦ LIBER ✦

On the Hartree-Fock and Xα descriptions of small copper cluster electronic structures

✍ Scribed by D. Post; E.J. Baerends

Publisher: Elsevier Science
Year: 1982
Tongue: English
Weight: 406 KB
Volume: 86
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(82)83264-8

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✦ Synopsis

A proper description of photocmiwon rcquues localized 33 holes. Thts resolves the reported disnepaocy bctaeen Hz~rtree-rock and Xa dcnsltics of states for metal cluslcrs. Cohesive cnergtes of Cu clusters (2-9 atoms) by LCAO Xn calculations arc reported. Allhough quantitshvcly diffcrcnt from Hartrec-Fock vdues. they show sundar behanour as a functron of cluster SEC.

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