Frozen localized molecular orbitals in electron correlation calculations - Exploiting the Hartree-Fock density matrix

Chemical Physics Letters

Volumn 450, Issue 4-6, 2008, Pages 400-403

  Surján, Péter R ^a   Kohalmi, Dóra ^a   Rolik, Zoltán ^a   Szabados, Ágnes ^a  

^a EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONS;

DENSITY MATRIX; ELECTRON CORRELATION CALCULATIONS;

MOLECULAR ORBITALS;

EID: 37449003785     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2007.11.016     Document Type: Article

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