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