A global search algorithm of minima exploration for the investigation of low lying isomers of clusters from density functional theory-based potential energy surfaces: The example of Sin (n=3,15) as a test case

Journal of Chemical Physics

Volumn 131, Issue 11, 2009, Pages

  Marchal, Ŕmi ^a   Carbonnìre, Philippe ^a   Pouchan, Claude ^a  

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

Author keywords

[No Author keywords available]

Indexed keywords

CONFORMATIONAL ENERGIES; GENERATION ALGORITHM; GLOBAL SEARCH ALGORITHM; OPTIMIZATION PROCESS; PLANAR STRUCTURE; STABLE STRUCTURES; STEP-BY-STEP; TEST CASE;

ISOMERS; LEARNING ALGORITHMS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

DENSITY FUNCTIONAL THEORY;

EID: 72949112860     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3216382     Document Type: Article

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