Ab initio calculations for electronic and optical properties of explosive silver azide

Computational Materials Science

Volumn 72, Issue , 2013, Pages 101-106

  Jain, Pradeep ^a,b   Sahariya, Jagrati ^a   Mund, H S ^a   Sharma, M ^b   Ahuja, B L ^a  

^a M L SUKHADIA UNIVERSITY   (India)

^b State Forensic Science Laboratory   (India)

Author keywords

Ab initio calculations; Density functional theory; Electronic and optical properties

Indexed keywords

AB INITIO CALCULATIONS; COMPLEX DIELECTRIC FUNCTIONS; ELECTRON MOMENTUM DENSITIES; ELECTRONIC AND OPTICAL PROPERTIES; FULL POTENTIAL-LINEARIZED AUGMENTED PLANE WAVES; LINEAR COMBINATION OF ATOMIC ORBITALS; LINEAR OPTICAL PROPERTIES; OPTICAL DIELECTRIC TENSOR;

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DIELECTRIC MATERIALS; EXPLOSIVES; QUANTUM CHEMISTRY; REFRACTIVE INDEX; ULTRAVIOLET RADIATION;

BAND STRUCTURE;

EID: 84875158330     PISSN: 09270256     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.commatsci.2013.02.003     Document Type: Article

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