Local density approximation and generalized gradient approximation calculations for oxygen and silicon vacancies in silica

Journal of Chemical Physics

Volumn 112, Issue 21, 2000, Pages 9543-9548

  Capron, N ^a   Carniato, S ^a   Lagraa, A ^a   Boureau, G ^a   Pasturel, A ^b  

^a SORBONNE UNIVERSITÉ   (France)

^b CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CHEMICAL BONDS; COMPUTER SIMULATION; CRYSTAL DEFECTS; CRYSTALLOGRAPHY; MATHEMATICAL MODELS; OXYGEN; PROBABILITY DENSITY FUNCTION; RELAXATION PROCESSES; SILICON;

FORMATION ENERGY; GENERALIZED GRADIENT APPROXIMATION; LOCAL DENSITY APPROXIMATION;

SILICA;

EID: 0033700793     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.481570     Document Type: Article

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