Decomposition of the first-order reduced density matrix: An isopycnic localization treatment

Journal of Physical Chemistry A

Volumn 110, Issue 29, 2006, Pages 9254-9260

  Alcoba, Diego R ^a   Bochicchio, Roberte C ^a   Torre, Alicia ^b   Lain, Luis ^b  

^a UNIVERSIDAD DE BUENOS AIRES   (Argentina)

^b UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL METHODS; DECOMPOSITION; MATHEMATICAL TRANSFORMATIONS; PHASE TRANSITIONS; REAL TIME SYSTEMS; STIFFNESS MATRIX;

HIGH TRANSFERABILITY; IDENTICAL LOCALIZED ORBITALS; LOCALIZATION IN SPACE; REDUCED DENSITY MATRICES;

ELECTRONS;

EID: 33746870009     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060593l     Document Type: Article

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