A perturbatively corrected tight-binding method with hybridization: Application to gold nanoparticles

Chemical Physics Letters

Volumn 503, Issue 1-3, 2011, Pages 171-175

  Rincon, Luis ^a,b   Hasmy, Anwar ^a,c   Marquez, Manuel ^a,d   Gonzalez, Carlos ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

^b FACULTAD DE CIENCIAS   (Venezuela)

^c UNIVERSIDAD SIMÓN BOLÍVAR   (Venezuela)

^d YNano LLC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY CALCULATIONS; ENERGY CORRECTION; GLOBAL MINIMA; GOLD CLUSTERS; GOLD NANOPARTICLES; GROUND-STATE STRUCTURES; NOBLE METALS; NON-PLANAR STRUCTURES; SMALL CLUSTERS; TIGHT BINDING METHODS;

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GOLD COMPOUNDS; PRECIOUS METALS;

CRYSTAL ATOMIC STRUCTURE;

EID: 79751528485     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2010.12.075     Document Type: Article

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