Role of dynamical polarization of the ligand-to-metal charge transfer excitations in ab initio determination of effective exchange parameters

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 12, 2003, Pages

  Gellé, Alain ^a   Munzarová, Markéta ^b   Lepetit, Marie Bernadette ^a   Illas, Francesc ^c  

^a European Theoretical Spectroscopy Facility   (France)

^b MASARYK UNIVERSITY   (Czech Republic)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

METAL;

AB INITIO CALCULATION; ACCURACY; ARTICLE; ELECTRON TRANSPORT; EXCITATION; MAGNETISM; MATHEMATICAL ANALYSIS; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; PARAMETER; POLARIZATION; RELIABILITY;

EID: 0242573267     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.68.125103     Document Type: Article

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