Communication: The role of the positivity N-representability conditions in natural orbital functional theory

Journal of Chemical Physics

Volumn 133, Issue 11, 2010, Pages

  Piris, M ^a,b   Matxain, J M ^a   Lopez, X ^a   Ugalde, J M ^a  

^a UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

^b BASQUE FOUNDATION FOR SCIENCE   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ANHARMONICITY CONSTANTS; CUMULANTS; DENSITY MATRIX; DIATOMIC MOLECULES; EQUILIBRIUM DISTANCES; EXPERIMENTAL DATA; EXPLICIT FORM; HARMONIC FREQUENCY; MATRIX; N-REPRESENTABILITY; NATURAL ORBITAL FUNCTIONAL; NEW APPROACHES; PIRIS NATURAL ORBITAL FUNCTIONAL; REDUCED-DENSITY MATRIX;

BINDING ENERGY; MATRIX ALGEBRA; QUANTUM THEORY;

EQUILIBRIUM CONSTANTS;

EID: 77956956864     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3481578     Document Type: Article

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