Size consistency of explicit functionals of the natural orbitals in reduced density matrix functional theory

Journal of Chemical Physics

Volumn 132, Issue 8, 2010, Pages

  Lathiotakis, N N ^a   Gidopoulos, N I ^a,b   Helbig, N ^c  

^a THEORETICAL AND PHYSICAL CHEMISTRY INSTITUTE   (Greece)

^b RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^c CENTRO MIXTO CSIC UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

FUNCTIONALS; NATURAL ORBITALS; REDUCED-DENSITY MATRIX; REDUCED-DENSITY-MATRIX-FUNCTIONAL THEORY; SIZE-CONSISTENCY; UNITARY TRANSFORMATIONS;

EMPLOYMENT; MATRIX ALGEBRA; QUANTUM THEORY;

DENSITY FUNCTIONAL THEORY;

HELIUM; NEON;

ALGORITHM; ARTICLE; CHEMISTRY; QUANTUM THEORY;

ALGORITHMS; HELIUM; NEON; QUANTUM THEORY;

EID: 77749280655     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3324699     Document Type: Article

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