First-principles norm-conserving pseudopotential with explicit incorporation of semicore states

Physical Review B - Condensed Matter and Materials Physics

Volumn 68, Issue 15, 2003, Pages 1551111-1551116

  Reis, Carlos L ^a   Pacheco, J M ^a   Martins, José Luís ^b,c  

^a UNIVERSITY OF LISBON   (Portugal)

^b INSTITUTO SUPERIOR TÉCNICO   (Portugal)

^c INESC   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

COPPER; TITANIUM; TRANSITION ELEMENT;

AB INITIO CALCULATION; ARTICLE; CHEMICAL BOND; CHEMICAL STRUCTURE; ELECTRIC POTENTIAL; ELECTRON; MATHEMATICAL ANALYSIS; QUANTUM THEORY; STRUCTURE ANALYSIS; TECHNIQUE; THEORETICAL MODEL;

EID: 18344417525     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: None     Document Type: Article

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