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  4. Thirteen-atom clusters: equilibrium geometries, structural transformations, and trends in sodium, magnesium, aluminum, and silicon
 
research article

Thirteen-atom clusters: equilibrium geometries, structural transformations, and trends in sodium, magnesium, aluminum, and silicon

Roethlisberger, Ursula  
•
Andreoni, Wanda
•
Giannozzi, Paolo
1992
The Journal of Chemical Physics

The results are given of an extensive structural study of Na13, Mg13, Al13, and Si13 carried out with the Car-Parrinello method. Several and mostly unforeseen noncryst. structures are discovered to characterize the low portion of the potential energy surface. Cryst. structures are shown either to correspond to high-energy local min. or to be highly unstable. The low-energy structural pattern appears to change significantly from one element to the other. Specific characteristics as well as trends are discussed. [on SciFinder (R)]

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Type
research article
DOI
10.1063/1.462161
Author(s)
Roethlisberger, Ursula  
Andreoni, Wanda
Giannozzi, Paolo
Date Issued

1992

Published in
The Journal of Chemical Physics
Volume

96

Issue

2

Start page

1248

End page

1256

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
LCBC  
Available on Infoscience
February 27, 2006
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/226127
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