Mapping the many-electron generalised spin-exchange Hamiltonian to accurate post-HF calculations

Chemical Physics

Volumn 309, Issue 2-3, 2005, Pages 133-141

  Ciofini, Ilaria ^a   Adamo, Carlo ^a   Barone, Vincenzo ^b   Berthier, Gaston ^c   Rassat, André ^d  

^a CNRS   (France)

^b UNIVERSITY OF NAPLES FEDERICO II   (Italy)

^c MUSÉUM NATIONAL D'HISTOIRE NATURELLE   (France)

^d Centre National de la Recherche Scientifique   (France)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ACCURACY; ANALYTIC METHOD; ARTICLE; CALCULATION; ELECTRON; HAMILTON SCALE; MATHEMATICAL ANALYSIS; MOLECULE; PARAMETER;

EID: 12944308792     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.09.001     Document Type: Article

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