Small Pd clusters

Simple item page
dc.contributor.authorRogan, J
dc.contributor.authorGarcía, G
dc.contributor.authorValdivia, JA
dc.contributor.authorOrellana, W
dc.contributor.authorRomero, AH
dc.contributor.authorRamírez, R
dc.contributor.authorKiwi, M
dc.date.accessioned2025-01-21T01:06:45Z
dc.date.available2025-01-21T01:06:45Z
dc.date.issued2005
dc.description.abstractThe lowest-energy structures of small Pd clusters (2 <= N <= 13) are computed by means of available phenomenological many-body potentials and by ab initio methods. The lowest-energy configuration is found by means of a genetic algorithm search. Satisfactory agreement between the results of the several methods implemented is achieved. Of special interest is the fact that all phenomenological potentials yield the same symmetry group for the lowest-energy cluster geometries, which moreover are identical with ab initio results. This constitutes an indication that the most common many-body empirical potentials can be trusted to yield reliable results.
dc.fuente.origenWOS
dc.identifier.doi10.1103/PhysRevB.72.115421
dc.identifier.eissn2469-9969
dc.identifier.issn2469-9950
dc.identifier.urihttps://doi.org/10.1103/PhysRevB.72.115421
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/96216
dc.identifier.wosidWOS:000232229100146
dc.issue.numero11
dc.language.isoen
dc.revistaPhysical review b
dc.rightsacceso restringido
dc.titleSmall Pd clusters
dc.typeartículo
dc.volumen72
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
Files
Collections
Artículos de revistas