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