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

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2002
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Bazterra, Victor E.
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On the theoretical determination of the static dipole polarizability of intermediate size silicon clusters
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Author
  • Bazterra, Victor E.;
  • Caputo, María C.;
  • Ferraro, Marta B.;
  • Fuentealba Rosas, Patricio;
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.
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URI: https://repositorio.uchile.cl/handle/2250/153481
DOI: 10.1063/1.1521761
ISSN: 00219606
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Journal of Chemical Physics, Volumen 117, Issue 24, 2002, Pages 11158-11165
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