Construction of CASCI-type wave functions for very large active spaces

Journal of Chemical Physics

Volumn 134, Issue 22, 2011, Pages

  Boguslawski, Katharina ^a   Marti, Konrad H ^a   Reiher, Markus ^a  

^a ETH ZURICH   (Switzerland)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; CONFIGURATION INTERACTIONS; CONFIGURATION-INTERACTION EXPANSIONS; DENSITY MATRIX; DENSITY MATRIX RENORMALIZATION GROUP; EIGENSTATES; MOLECULAR SYSTEMS; MONTE CARLO SAMPLING; MULTI REFERENCE CONFIGURATION INTERACTIONS; NETWORK STATE; PARAMETER SET; SAMPLING ALGORITHM;

ALGORITHMS; ELECTRONIC STRUCTURE; HILBERT SPACES; STATISTICAL MECHANICS;

WAVE FUNCTIONS;

EID: 79959401884     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3596482     Document Type: Article

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