Analysis of atomic orbital basis sets from the projection of plane-wave results

Journal of Physics Condensed Matter

Volumn 8, Issue 21, 1996, Pages 3859-3880

  Sánchez Portal, Daniel ^a   Artacho, Emilio ^a   Soler, José M ^a  

^a INSTITUTO NICOLÁS CABRERA   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM; BAND STRUCTURE; CRYSTAL ATOMIC STRUCTURE; EIGENVALUES AND EIGENFUNCTIONS; ERRORS; MATRIX ALGEBRA; NUMERICAL METHODS; OPTIMIZATION; SEMICONDUCTOR MATERIALS; ZINC;

ATOMIC ORBITAL BASIS SETS; ENERGY BANDS; HAMILTONIAN MATRIX; MEAN SQUARE ERROR; PLANE-WAVE; PSEUDO-ATOMIC ORBITALS; SLATER-TYPE ORBITALS;

ELECTRONIC STRUCTURE;

EID: 0030142504     PISSN: 09538984     EISSN: None     Source Type: Journal    
DOI: 10.1088/0953-8984/8/21/012     Document Type: Article

References (26)

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26. Geometry taken from Soler J M, unpublished