Contributions to the infrared effective charges of oxides and chalcogenides from equilibrium charge and dynamic charge redistribution during normal mode motions

Applied Surface Science

Volumn 212-213, Issue SPEC., 2003, Pages 839-843

  Sremaniak, L S ^a   Whitten, J L ^a   Menon, M ^a   Lucovsky, G ^a  

^a NORTH CAROLINA STATE UNIVERSITY   (United States)

Author keywords

Ab initio quantum chemistry calculations; Continuous random networks; Infrared active vibrations; Infrared effective charges; Non crystalline oxides and chalcogenides; Normal mode motions

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; INFRARED RADIATION; QUANTUM THEORY; RAMAN SCATTERING;

CHARGE REDISTRIBUTION;

FUSED SILICA;

EID: 17544394502     PISSN: 01694332     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0169-4332(03)00087-4     Document Type: Conference Paper

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