A dynamic lattice searching method with constructed core for optimization of large Lennard-Jones clusters

A variation of the previous dynamic lattice searching (DLS) method, named as DLS with constructed core (DLSc), was proposed for structural optimization of Lennard-Jones (LJ) clusters. In the new method, the starting random structure is generated with an icosahedron or a decahedron as a core. For a c...

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Veröffentlicht in:Journal of computational chemistry. - 1984. - 28(2007), 8 vom: 01. Juni, Seite 1427-33
1. Verfasser: Yang, Xiaoli (VerfasserIn)
Weitere Verfasser: Cai, Wensheng, Shao, Xueguang
Format: Aufsatz
Sprache:English
Veröffentlicht: 2007
Zugriff auf das übergeordnete Werk:Journal of computational chemistry
Schlagworte:Journal Article