Linear optical properties of solids within the full-potential linearized augmented planewave method
作者： Claudia Ambrosch-Draxl , Jorge O. Sofo
DOI: 10.1016/J.CPC.2006.03.005
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摘要: Abstract We present a scheme for the calculation of linear optical properties by all-electron full-potential linearized augmented planewave (LAPW) method. A summary theoretical background derivation dielectric tensor within random-phase approximation is provided. The momentum matrix elements are evaluated in detail LAPW basis, and interband as well intra-band contributions to given. As an example formalism applied Aluminum. program available module WIEN2k code.
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