Calculation of valence electron momentum densities using the projector augmented-wave method

Journal of Physics and Chemistry of Solids

Volumn 66, Issue 6, 2005, Pages 1128-1135

  Makkonen, I ^a   Hakala, M ^b   Puska, M J ^a  

^a AALTO UNIVERSITY   (Finland)

^b Division of X Ray Physics   (Finland)

Author keywords

C. Ab initio calculations; C. X ray diffraction

Indexed keywords

BAND STRUCTURE; CARRIER CONCENTRATION; ELECTRIC FIELDS; FOURIER TRANSFORMS; FUNCTIONS; HYDROGEN BONDS; OSCILLATIONS; PROBABILITY DENSITY FUNCTION; X RAY DIFFRACTION;

AB INITIO CALCULATIONS; LOCALIZED BASIS SETS; MOMENTUM; SINGLE-PARTICLE STATES;

ELECTRONS;

EID: 18844393103     PISSN: 00223697     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jpcs.2005.02.009     Document Type: Article

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