Is it possible to determine rigorous magnetic Hamiltonians in spin s=1 systems from density functional theory calculations?

Journal of Chemical Physics

Volumn 129, Issue 15, 2008, Pages

  Lab̀guerie, Pierre ^a   Boilleau, Corentin ^a   Bastardis, Roland ^a   Suaud, Nicolas ^a   Guih́ry, Nathalie ^a   Malrieu, Jean Paul ^a  

^a UNIVERSITÉ DE TOULOUSE   (France)

Author keywords

[No Author keywords available]

Indexed keywords

FLOW INTERACTIONS; HAMILTONIANS; LANTHANUM; MAGNETIC COUPLINGS; MAGNETIC MATERIALS; MAGNETISM; MEATS; METAL IONS; SPIN DYNAMICS;

1 SYSTEMS; BIQUADRATIC EXCHANGES; BODY OPERATORS; DENSITY FUNCTIONAL THEORY CALCULATIONS; EIGENVALUES; HEISENBERG HAMILTONIANS; HUBBARD; IS SYSTEMS; ISING HAMILTONIANS; MAGNETIC; MAGNETIC CENTERS; MAGNETIC ELECTRONS; MAGNETIC SPIN; MEAN-VALUE; MODEL PROBLEMS; MOLECULAR COMPLEXES; PERIODIC LATTICES; VARIATIONAL ENERGIES;

DENSITY FUNCTIONAL THEORY;

EID: 54949117223     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2993263     Document Type: Article

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