A simplified first-principles formalism incorporating anharmonic phonon effects predicts frequency-dependent refractive indices of MgO and rutile TiO2 in good agreement with experiment.
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A first-principles approach for predicting infrared optical properties of solids
A simplified first-principles formalism incorporating anharmonic phonon effects predicts frequency-dependent refractive indices of MgO and rutile TiO2 in good agreement with experiment.