Properties of simple metals beyond the local density approximation of density functional theory

International Journal of Quantum Chemistry

Volumn 91, Issue 2 SPEC, 2003, Pages 224-229

  Almeida, L M ^a,b   Fiolhais, Carlos ^b   Causa M ^c  

^a UNIVERSITY OF AVEIRO   (Portugal)

^b UNIVERSITY OF COIMBRA   (Portugal)

^c UNIVERSITY OF EASTERN PIEDMONT   (Italy)

Author keywords

Crystal 98; Density functional theory; Gaussian type orbitals; Metageneralized gradient approximation; Simple metals

Indexed keywords

APPROXIMATION THEORY; BERYLLIUM; BINDING ENERGY; ELASTIC MODULI; LATTICE CONSTANTS; PROBABILITY DENSITY FUNCTION;

PHASE STABILITY;

LITHIUM;

EID: 0037438980     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10399     Document Type: Conference Paper

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