Two-electron reduced density matrices from the anti-Hermitian contracted Schrödinger equation: Enhanced energies and properties with larger basis sets

Journal of Chemical Physics

Volumn 126, Issue 18, 2007, Pages

  Mazziotti, David A ^a,b  

^a UNIVERSITY OF CHICAGO   (United States)

^b UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CORRELATION ENERGY; HARMONIC FREQUENCY; REDUCED DENSITY MATRICES;

COMPUTATIONAL METHODS; GROUND STATE; POLARIZATION; WAVE EQUATIONS;

CARRIER CONCENTRATION;

ALGORITHM; ARTICLE; CHEMICAL MODEL; COMPUTER SIMULATION; ELECTRON; ENERGY TRANSFER; QUANTUM THEORY;

ALGORITHMS; COMPUTER SIMULATION; ELECTRONS; ENERGY TRANSFER; MODELS, CHEMICAL; QUANTUM THEORY;

EID: 34248332586     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2723115     Document Type: Article

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