Structural evolution of Agnv (v = ± 1, 0 ; n = 3 s(-) 14) clusters using genetic algorithm and density functional theory method

Computational Materials Science

Volumn 42, Issue 3, 2008, Pages 462-469

  Zhang, Hualei ^a   Tian, Dongxu ^a  

^a DALIAN UNIVERSITY OF TECHNOLOGY   (China)

Author keywords

Density functional theory; Electronic structure; Genetic algorithm; Geometry; Silver cluster

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRON AFFINITY; ELECTRONIC PROPERTIES; ENERGY GAP; GENETIC ALGORITHMS; IONIZATION POTENTIAL; MOLECULAR ORBITALS;

FLAT CONFIGURATIONS; PLANAR SHAPES; STRUCTURAL EVOLUTION; UNBIASED SEARCH;

SILVER;

EID: 42049093432     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2007.08.009     Document Type: Article

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