REINTRODUCING THE IONIC STRUCTURE IN THE JELLIUM MODEL FOR METAL-CLUSTERS - PSEUDOPOTENTIAL PERTURBATION-THEORY

Authors
PACHECO JM EKARDT W SCHONE WD
Citation
Jm. Pacheco et al., REINTRODUCING THE IONIC STRUCTURE IN THE JELLIUM MODEL FOR METAL-CLUSTERS - PSEUDOPOTENTIAL PERTURBATION-THEORY, Surface review and letters, 3(1), 1996, pp. 313-316
Citations number
13
Categorie Soggetti
Physics, Condensed Matter","Physics, Atomic, Molecular & Chemical","Material Science
Journal title
Surface review and letters → ACNP
ISSN journal
0218625X
Volume
3
Issue
1
Year of publication
1996
Pages
313 - 316
Database
ISI
SICI code
0218-625X(1996)3:1<313:RTISIT>2.0.ZU;2-3
Abstract
Ionic structure effects in small sodium clusters are studied via secon d-order pseudopotential perturbation theory. It is found that this for mulation not only leads to the same ionic structures found via ab-init io Car-Parrinello structure optimization, but also to a substantial im provement in the overall description of the optical response of the cl usters.