THEORETICAL INVESTIGATION OF SMALL MGO, CAO AND NACL CLUSTERS

Authors
MOUKOURI S NOGUERA C
Citation
S. Moukouri et C. Noguera, THEORETICAL INVESTIGATION OF SMALL MGO, CAO AND NACL CLUSTERS, Zeitschrift fur Physik. D, Atoms, molecules and clusters, 26, 1993, pp. 198-200
Citations number
7
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Zeitschrift fur Physik. D, Atoms, molecules and clusters → ACNP
ISSN journal
01787683
Volume
26
Year of publication
1993
Supplement
S
Pages
198 - 200
Database
ISI
SICI code
0178-7683(1993)26:<198:TIOSMC>2.0.ZU;2-G
Abstract
We study the size dependence of the electronic and structural properti es of small MgO, CaO and NaCl clusters (up to 12 atoms), thanks to a s elfconsistent tight binding approach in which we treat electrostatic a nd covalent effects on the same level. We discuss the conditions under which the ionic charges get reduced and the interatomic distances are contracted or dimerized.