The role of range-separated Hartree-Fock exchange in the calculation of magnetic exchange couplings in transition metal complexes

Journal of Chemical Physics

Volumn 134, Issue 3, 2011, Pages

  Phillips, Jordan J ^a   Peralta, Juan E ^a  

^a CENTRAL MICHIGAN UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BINUCLEAR TRANSITION-METAL COMPLEX; DELOCALIZATIONS; ENERGY DIFFERENCES; EXTENDED SYSTEMS; FUNCTIONALS; HARTREE-FOCK EXCHANGES; HYBRID FUNCTIONALS; MAGNETIC EXCHANGE COUPLING; MAGNETIC ORBITALS; PERDEW-BURKE-ERNZERHOF; RELATIVE IMPORTANCE; SEPARATION PARAMETERS;

EXCHANGE COUPLING; METAL COMPLEXES; MOLECULAR PHYSICS; TRANSITION METAL COMPOUNDS; TRANSITION METALS;

MAGNETIC COUPLINGS;

ORGANOMETALLIC COMPOUND; TRANSITION ELEMENT;

ARTICLE; CHEMISTRY; MAGNETISM; QUANTUM THEORY;

MAGNETICS; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; TRANSITION ELEMENTS;

EID: 79551630274     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3531696     Document Type: Article

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