Ab initio lattice dynamics of nonconducting crystals by systematic fragmentation

Journal of Chemical Physics

Volumn 134, Issue 16, 2011, Pages

  Collins, Michael A ^a  

^a AUSTRALIAN NATIONAL UNIVERSITY   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; AB INITIO THEORY; COUPLED CLUSTERS; DISPERSION INTERACTION; ELECTRONIC ENERGIES; HARMONIC LATTICE; HARTREE-FOCK; LATTICE DYNAMICS; LONG RANGE; LONG RANGE INTERACTIONS; PHONON FREQUENCIES; SCATTERING INTENSITY; SYSTEMATIC METHOD;

LATTICE VIBRATIONS; QUANTUM CHEMISTRY; QUARTZ; SOLIDS;

CRYSTAL STRUCTURE;

EID: 79955678518     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3581845     Document Type: Article

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