An accurate first principles study of the geometric and electronic structure of B2, B2-, B3, B3-, and B3 H: Ground and excited states

Journal of Chemical Physics

Volumn 132, Issue 16, 2010, Pages

  Miliordos, Evangelos ^a   Mavridis, Aristides ^a  

^a UNIVERSITY OF ATHENS   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR PHYSICS; NUMERICAL METHODS; POTENTIAL ENERGY;

ATOMIZATION ENERGIES; COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; ENERGY SURFACE; FIRST-PRINCIPLES STUDY; MULTI REFERENCE CONFIGURATION INTERACTIONS; POTENTIAL ENERGY PROFILES; TRANSITION STATE;

BINDING ENERGY;

EID: 77952414634     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3389133     Document Type: Article

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