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We present a theory of linear optical constants based on a single-particledensity matrix and implemented in an extension of the real-space multiplescattering code FEFF. This approach avoids the need to compute wave-functionsexplicitly, and yields efficient calculations for frequencies ranging from theIR to hard x-rays, and applicable to arbitrary aperiodic systems. Our approachis illustrated with calculations of optical properties and applications forseveral materials.

Density matrix calculation of optical constants from optical to x-ray frequencies