Connection of an elementary class of parametric two-electron reduced-density-matrix methods to the coupled electron-pair approximations

Molecular Physics

Volumn 110, Issue 15-16, 2012, Pages 1917-1925

  Deprince, A Eugene ^a,b   Mazziotti, David A ^a  

^a UNIVERSITY OF CHICAGO   (United States)

^b GEORGIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

electron correlation; N representability conditions; particle hole duality; reduced density matrices; variational principle

Indexed keywords

CH RADICALS; CLOSED SHELLS; COMPUTATIONAL COSTS; COUPLED CLUSTERS; COUPLED ELECTRON PAIR APPROXIMATIONS; DENSITY MATRIX; DOUBLE SUBSTITUTION; ELECTRON-PAIR APPROXIMATIONS; EXCLUSION PRINCIPLE; HARMONIC FREQUENCY; N-REPRESENTABILITY; PARTICLE-HOLE DUALITY; PARTICLE-HOLE SYMMETRY; REDUCED-DENSITY-MATRIX; STATIONARY CONDITIONS; TRIPLE EXCITATION; VARIATIONAL PRINCIPLES; VIRTUAL SPACES;

ELECTRON CORRELATIONS; MOLECULAR PHYSICS; RESEARCH;

VARIATIONAL TECHNIQUES;

EID: 84865591508     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2012.695027     Document Type: Article

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