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

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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