ALL-VALENCE ELECTRON INVESTIGATION OF C(N) BINDING-ENERGIES (N-LESS-THAN-OR-EQUAL-TO-60)

Authors
JOYES P TARENTO RJ VANDEWALLE J
Citation
P. Joyes et al., ALL-VALENCE ELECTRON INVESTIGATION OF C(N) BINDING-ENERGIES (N-LESS-THAN-OR-EQUAL-TO-60), Zeitschrift fur Physik. D, Atoms, molecules and clusters, 26, 1993, pp. 270-272
Citations number
13
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
270 - 272
Database
ISI
SICI code
0178-7683(1993)26:<270:AEIOCB>2.0.ZU;2-H
Abstract
We present a theoretical study of the electronic properties of some C( n) aggregates : C3, C20, C24, C28, C60 ; C3 is linear, the others are polyhedrons. Our calculation includes all the valence electrons. A one -electron description is first developed, then we include intraatomic correlations by using a second order perturbative treatment introduced by J. Friedel for sp(nu) hybridized systems.