First-principles investigation of the atomic and electronic structure and magnetic moments in gold nanoclusters

Journal of Physical Chemistry C

Volumn 115, Issue 10, 2011, Pages 3809-3820

  Pundlik, Savita S ^a   Kalyanaraman, Kaushik ^a,c   Waghmare, Umesh V ^b  

^a Research and Innovation Group   (India)

^b JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENTIFIC RESEARCH   (India)

^c UNIVERSITY OF ILLINOIS AT URBANA CHAMPAIGN   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ATOM CLUSTERS; ATOMIC ORBITAL; CENTRAL ATOM; DECAHEDRAL STRUCTURES; EXCHANGE CORRELATIONS; FIRST-PRINCIPLES; FIRST-PRINCIPLES INVESTIGATIONS; GOLD CLUSTERS; GOLD NANOCLUSTER; GOLD NANOPARTICLES; JAHN-TELLER ACTIVITY; NONCOLLINEAR MAGNETIZATION; OCTAHEDRAL STRUCTURES; PLANE WAVE DENSITY FUNCTIONAL THEORY; RELATIVISTIC EFFECTS; S CHARACTERS; S STATE; SPIN ORBIT INTERACTIONS; STRUCTURAL DISTORTIONS;

ATOMS; BINDING ENERGY; DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; GOLD COMPOUNDS; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; NUCLEAR ENERGY; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

GOLD;

EID: 79953194150     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp102482g     Document Type: Article

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