Ab initio GW-BSE theory of optical activity in α-quartz
Abstract
We present an ab initio many-body theory of optical activity in solids within the GW-BSE framework. Dielectric spatial dispersion is formulated in two complementary forms: exciton envelope modulation and sum-over-exciton-states expansion. Our application to α-quartz reveals that the envelope-modulated formulation captures the low-frequency region, whereas the sum-over-exciton-states formulation is essential to reproduce the correct full frequency dependence. Comparisons with the independent-particle approximation and simple local-field corrections further highlight the decisive role of excitonic many-body effects in shaping the spectral dispersion of optical activity in solids.
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