A global search algorithm of minima exploration for the investigation of low lying isomers of clusters from DFT-based potential energy surface. A theoretical study of Sin and Sin-1Al clusters

International Journal of Quantum Chemistry

Volumn 110, Issue 12, 2010, Pages 2256-2259

  Marchal, Rémi ^a   Carbonnière, Philippe ^a   Pouchan, Claude ^a  

^a UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

Author keywords

Cluster structure; Global search algorith

Indexed keywords

ATOMIC AND MOLECULAR CLUSTERS; CLUSTER STRUCTURE; GLOBAL SEARCH; GLOBAL SEARCH ALGORITHM; MICROSCOPIC STRUCTURES; OPTIMIZATION PROCESS; PLANAR STRUCTURE; SILICON CLUSTERS; STEP-BY-STEP; TEST CASE; THEORETICAL STUDY;

CRYSTAL ATOMIC STRUCTURE; DENSITY FUNCTIONAL THEORY; ISOMERS; LEARNING ALGORITHMS; OPTIMIZATION; QUANTUM CHEMISTRY; SILICON;

CLUSTERING ALGORITHMS;

EID: 77955154089     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22534     Document Type: Article

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