Screened full-potential KKR calculations for transition metals, based on the generalized-gradient approximation

Journal of Magnetism and Magnetic Materials

Volumn 272-276, Issue SUPPL. 1, 2004, Pages

  Hoshino, T ^a   Asato, M ^b   Nakamura, T ^a   Zeller, R ^c   Dederichs, P H ^c  

^a SHIZUOKA UNIVERSITY   (Japan)

^b TOKYO METROPOLITAN COLLEGE OF INDUSTRIAL TECHNOLOGY   (Japan)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Density functional theory; PW91 GGA; Screened full potential KKR Green's function method; Transition metals

Indexed keywords

APPROXIMATION THEORY; BAND STRUCTURE; CRYSTAL STRUCTURE; GREEN'S FUNCTION; GROUND STATE; PROBABILITY DENSITY FUNCTION;

DENSITY-FUNCTIONAL THEORY (DFT); GENERALIZED GRADIENT APPROXIMATION (GGA); PW91-GGA; SCREENED FULL-POTENTIAL KKR GREEN'S FUNCTION METHOD;

TRANSITION METALS;

EID: 9144221616     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jmmm.2003.11.165     Document Type: Conference Paper

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