Structure and energetics of SiO2 polymorphs by quantum-mechanical and semiclassical approaches

Journal of Physical Chemistry B

Volumn 104, Issue 31, 2000, Pages 7259-7265

  Catti, M ^a   Civalleri, B ^b   Ugliengo, P ^b  

^a UNIVERSITY OF MILANO BICOCCA   (Italy)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; FUNCTIONS; PHASE TRANSITIONS; QUANTUM THEORY; QUARTZ;

COESITE; CRISTOBALITE; DENSITY FUNCTIONAL THEORY (DFT); HAMILTONIAN SYSTEMS; HARTREE-FOCK METHOD; LOCAL-DENSITY APPROXIMATION (LDA); POLYMORPHISM; TRIDYMITE;

SILICA;

EID: 0034248757     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp000160x     Document Type: Article

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