Binding energies and bond distances of ion crystal clusters

✍ Scribed by Karl Jug; Gerald Geudtner

• Publisher: Elsevier Science
• Year: 1993
• Tongue: English
• Weight: 377 KB
• Volume: 208
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(93)87185-6

✦ Synopsis

Binding energies and bond distances are calculated with the semiempirical MO method SINDO 1. A quasilinear relationship is found between normalized binding energies or average bond distances and relative average coordination numbers. It is demonstrated that binding energy per unit and binding energy per bond are not independent and that convergence of both kinds of binding energy to the same bulk value is guaranteed only if their relation is observed.