On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters

Bazterra, VE; Caputo, MC; Ferraro, MB; Fuentealba, P

Abstract

The static electric dipole polarizability of small Si clusters was investigated. The methods used were based on different techniques to calculate the polarizability. Thus, some methods used the higher-order finite-difference pseudopotential, while others have employed an all-electron approach. The results show that B3PW91 combined with pseudo-potential and a suitable basis set was a very powerful method to reproduce the polarizabilities of Sin clusters with size range n=1-8.

Más información

Título según WOS: On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters
Título según SCOPUS: On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters
Título de la Revista: JOURNAL OF CHEMICAL PHYSICS
Volumen: 117
Número: 24
Editorial: AIP Publishing
Fecha de publicación: 2002
Página de inicio: 11158
Página final: 11165
Idioma: English
URL: http://scitation.aip.org/content/aip/journal/jcp/117/24/10.1063/1.1521761
DOI:

10.1063/1.1521761

Notas: ISI, SCOPUS