Molecular graphs of Lin clusters (n=2-6) from the density and the molecular electrostatic potential

Journal of Computational Methods in Sciences and Engineering

Volumn 7, Issue 5-6, 2007, Pages 383-394

  Calaminici, Patrizia ^a   Dominguez Soria, Victor Daniel ^a   Geudtner, Gerald ^a   Köster, Andreas M ^a  

^a DEPARTAMENTO DE FÍSICA   (Mexico)

Author keywords

Density; density functional theory; lithium clusters; molecular electrostatic potential; molecular graphs; non nuclear attractors

Indexed keywords

DENSITY (SPECIFIC GRAVITY); ELECTROSTATICS; GRAPHIC METHODS; GROUND STATE; LITHIUM; MOLECULAR INTERACTIONS; TOPOLOGY;

GROUND-STATE STRUCTURES; KOHN-SHAM DENSITY-FUNCTIONAL THEORY; LITHIUM CLUSTERS; MOLECULAR ELECTROSTATIC POTENTIALS; MOLECULAR GRAPHS; NON-NUCLEAR ATTRACTORS; STRUCTURAL PARAMETER; TOPOLOGICAL ANALYSIS;

DENSITY FUNCTIONAL THEORY;

EID: 84862582006     PISSN: 14727978     EISSN: None     Source Type: Journal    
DOI: 10.3233/jcm-2007-75-605     Document Type: Article

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