Non-self-consistent first-principles calculations for total-energy differences

Journal of Magnetism and Magnetic Materials

Volumn 177-181, Issue PART 2, 1998, Pages 1411-1412

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

^a SHIZUOKA UNIVERSITY   (Japan)

^b FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Band calculation; Defects; Generalized gradient approximation; Local spin density approximation

Indexed keywords

ALLOYS; APPROXIMATION THEORY; CALCULATIONS; ELECTRONIC DENSITY OF STATES; PERTURBATION TECHNIQUES; PHASE DIAGRAMS;

FIRST PRINCIPLE CALCULATION; FROZEN POTENTIAL APPROXIMATION; GENERALIZED GRADIENT APPROXIMATION; LOCAL SPIN DENSITY APPROXIMATION; SELF CONSISTENT CALCULATION;

BAND STRUCTURE;

EID: 19244370831     PISSN: 03048853     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0304-8853(97)00550-7     Document Type: Article

References (8)

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