Variational reduced-density-matrix calculations on radicals: An alternative approach to open-shell ab initio quantum chemistry

Physical Review A - Atomic, Molecular, and Optical Physics

Volumn 73, Issue 1, 2006, Pages

  Hammond, Jeff R ^a   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; GROUND STATE; HYDROGEN; OPTIMIZATION;

DIATOMIC RADICALS; FIRST-ORDER ALGORITHM; TWO-ELECTRON REDUCED-DENSITY-MATRIX (2-RDM) THEORY;

MATRIX ALGEBRA;

EID: 33144478439     PISSN: 10502947     EISSN: 10941622     Source Type: Journal    
DOI: 10.1103/PhysRevA.73.012509     Document Type: Article

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