Abstract
The standard procedure used to calculate the optical characteristics of crystals is the replacement of the coordinate operator, which is not well defined in the case of infinite periodic systems, by the momentum operator. This is correct only for the local potential, and in general, the replacement leads to the occurrence of the velocity operator. In the present study, the influence of the appropriate corrections, analyzed previously by other researchers only for atoms, is examined for optical spectra of a wide class of crystals.
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Gordienko, A.B., Poplavnoi, A.S. Influence of the Pseudopotential Nonlocality on the Calculated Optical Characteristics of Crystals. Russian Physics Journal 47, 687–691 (2004). https://doi.org/10.1023/B:RUPJ.0000049740.43599.0c
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DOI: https://doi.org/10.1023/B:RUPJ.0000049740.43599.0c