Combining multiconfigurational wave functions with correlation density functionals: A size-consistent method based on natural orbitals and occupation numbers

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 75, Issue 1, 2007, Pages

  Pérez Jiménez, Ángel J ^a   Pérez Jordá, José M ^a  

^a UNIVERSITY OF ALICANTE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

AROMATIC COMPOUNDS; DERIVATIVES; GROUND STATE; MOLECULAR DYNAMICS; OPTICAL PROPERTIES; PROBABILITY DENSITY FUNCTION;

COUPLED-CLUSTER CALCULATIONS; CYCLOBUTADIENE; MULTIREFERENCE;

MOLECULAR STRUCTURE;

EID: 33846365525     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.75.012503     Document Type: Article

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