Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)

Journal of Chemical Physics

Volumn 140, Issue 24, 2014, Pages

  Wouters, Sebastian ^a   Bogaerts, Thomas ^a   Van Der Voort, Pascal ^a   Van Speybroeck, Veronique ^a   Van Neck, Dimitri ^a  

^a GHENT UNIVERSITY   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; STATISTICAL MECHANICS;

ACTIVE SPACES; COMPLETE ACTIVE SPACE; DENSITY MATRIX RENORMALIZATION GROUP; LOCALIZATION PROCEDURE; MN(SALEN) COMPLEXES; QUINTET STATE; SCALAR RELATIVISTIC CORRECTIONS; SELF-CONSISTENT FIELD CALCULATIONS;

MANGANESE COMPOUNDS;

EID: 84903696146     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4885815     Document Type: Article

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