Accuracy of atomic-sphere approximation in electronic-structure calculations for transition-metal systems

Journal of Magnetism and Magnetic Materials

Volumn 226-230, Issue PART I, 2001, Pages 384-385

  Hoshino, T ^a   Asato, M ^a   Mizuno, T ^a  

^a SHIZUOKA UNIVERSITY   (Japan)

Author keywords

Atomic sphere approximation; Defect energies; Density functional theory; Full potential kkr green's function; LSDA; Method; PW91 GGA

Indexed keywords

ATOMS; CALCULATIONS; CHARGE TRANSFER; DEFECT DENSITY; DEFECTS; ELECTRONIC STRUCTURE; SPHERES; TRANSITION METALS;

ATOMIC SPHERE APPROXIMATION; DEFECT ENERGY; LSDA; METHOD; PW91-GGA;

DENSITY FUNCTIONAL THEORY;

EID: 78049381709     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0304-8853(00)01176-8     Document Type: Article

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