Analysis of the physical contributions to magnetic couplings in broken symmetry density functional theory approach

Journal of Chemical Physics

Volumn 137, Issue 11, 2012, Pages

  Coulaud, Esther ^a   Guihéry, Nathalie ^b   Malrieu, Jean Paul ^b   Hagebaum Reignier, Denis ^c   Siri, Didier ^a   Ferré, Nicolas ^a  

^a AIX MARSEILLE UNIV   (France)

^b UNIVERSITÉ PAUL SABATIER   (France)

^c AIX MARSEILLE UNIVERSITÉ   (France)

Author keywords

[No Author keywords available]

Indexed keywords

ANDERSONS; BROKEN SYMMETRY; DECOMPOSITION SCHEME; DENSITY FUNCTIONAL THEORIES (DFT); FERROMAGNETIC AND ANTI-FERROMAGNETIC; HARTREE-FOCK EXCHANGES; KINETIC EXCHANGES; MAGNETIC COMPOUNDS; MAGNETIC EXCHANGE INTERACTIONS; MAGNETIC ORBITALS; ORBITALS; SELF-CONSISTENT FIELD METHOD; UNPAIRED ELECTRONS;

ANTIFERROMAGNETISM; EXCHANGE INTERACTIONS; MAGNETIC COUPLINGS; SPIN POLARIZATION;

DENSITY FUNCTIONAL THEORY;

EID: 84866887189     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4752412     Document Type: Article

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