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Bazterra, V.E.; Oña, O.; Caputo, M.C.; Ferraro, M.B.; Fuentealba, P.; Facelli, J.C. "Modified genetic algorithms to model cluster structures in medium-size silicon clusters" (2004) Physical Review A - Atomic, Molecular, and Optical Physics. 69(5 B):053202-1-053202-7
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Abstract:

Genetic algorithms (GA) were used to investigate the stable isomers of silicon clusters. In order to find the cluster structures, a semiempirical energy function was used by the GA that were further optimized using density-functional theory. A different structure with a significantly lower energy was found in the case of Si36. The need for global optimization schemes rather than local optimization was demonstrated by the results while searching for stable structures of medium-size silicon clusters.

Registro:

Documento: Artículo
Título:Modified genetic algorithms to model cluster structures in medium-size silicon clusters
Autor:Bazterra, V.E.; Oña, O.; Caputo, M.C.; Ferraro, M.B.; Fuentealba, P.; Facelli, J.C.
Filiación:Ctr. for High Performance Computing, University of Utah, 155 South 1452 East Rm 405, Salt Lake City, UT 84112-0190, United States
Departamento de Física, Fac. de Cie. Exactas y Naturales, Ciudad Universitaria, Pabellon I (1428), Buenos Aires, Argentina
Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago 1, Chile
Palabras clave:Computational methods; Crystalline materials; Genetic algorithms; Global optimization; Isomers; Molecular structure; Monte Carlo methods; Nanostructured materials; Probability density function; Quantum theory; Simulated annealing; Energy functions; Parallel genetic algorithms (PGA); Silicon clusters; Structural modifications; Silicon compounds
Año:2004
Volumen:69
Número:5 B
Página de inicio:053202
Página de fin:1-053202-7
DOI: http://dx.doi.org/10.1103/PhysRevA.69.053202
Título revista:Physical Review A - Atomic, Molecular, and Optical Physics
Título revista abreviado:Phys Rev A
ISSN:10502947
CODEN:PLRAA
Registro:https://bibliotecadigital.exactas.uba.ar/collection/paper/document/paper_10502947_v69_n5B_p053202_Bazterra

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Citas:

---------- APA ----------
Bazterra, V.E., Oña, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P. & Facelli, J.C. (2004) . Modified genetic algorithms to model cluster structures in medium-size silicon clusters. Physical Review A - Atomic, Molecular, and Optical Physics, 69(5 B), 053202-1-053202-7.
http://dx.doi.org/10.1103/PhysRevA.69.053202
---------- CHICAGO ----------
Bazterra, V.E., Oña, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P., Facelli, J.C. "Modified genetic algorithms to model cluster structures in medium-size silicon clusters" . Physical Review A - Atomic, Molecular, and Optical Physics 69, no. 5 B (2004) : 053202-1-053202-7.
http://dx.doi.org/10.1103/PhysRevA.69.053202
---------- MLA ----------
Bazterra, V.E., Oña, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P., Facelli, J.C. "Modified genetic algorithms to model cluster structures in medium-size silicon clusters" . Physical Review A - Atomic, Molecular, and Optical Physics, vol. 69, no. 5 B, 2004, pp. 053202-1-053202-7.
http://dx.doi.org/10.1103/PhysRevA.69.053202
---------- VANCOUVER ----------
Bazterra, V.E., Oña, O., Caputo, M.C., Ferraro, M.B., Fuentealba, P., Facelli, J.C. Modified genetic algorithms to model cluster structures in medium-size silicon clusters. Phys Rev A. 2004;69(5 B):053202-1-053202-7.
http://dx.doi.org/10.1103/PhysRevA.69.053202