Density functional theory of transition metal phthalocyanines, I: Electronic structure of NiPc and CoPc-self-interaction effects

Applied Physics A: Materials Science and Processing

Volumn 95, Issue 1, 2009, Pages 159-163

  Marom, Noa ^a   Kronik, Leeor ^a  

^a WEIZMANN INSTITUTE OF SCIENCE   (Israel)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EMISSION SPECTROSCOPY; PHOTOEMISSION; SPIN DYNAMICS; STRUCTURAL METALS; TRANSITION METALS;

DENSITY FUNCTIONAL; EXPERIMENTAL DATUM; GENERALIZED GRADIENT APPROXIMATIONS; HYBRID EXCHANGES; HYBRID FUNCTIONALS; LOCALIZED ORBITALS; METAL PHTHALOCYANINES; PHOTOEMISSION SPECTRUM; SELF INTERACTIONS; SELF-INTERACTION ERRORS; SPIN SYSTEMS;

DENSITY FUNCTIONAL THEORY;

EID: 60749114142     PISSN: 09478396     EISSN: 14320630     Source Type: Journal    
DOI: 10.1007/s00339-008-5007-z     Document Type: Article

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