EfficientO(N2)method to solve the Bethe-Salpeter equation

We present a numerically efficient approach to solve the Bethe-Salpeter equation for the polarization function. Rather than from the usual eigenvalue representation, the macroscopic polarizability is obtained from the solution of an initial-value problem. This reduces the computational effort considerably and allows for calculating excitonic and local-field effects in optical spectra of complex systems consisting of many atoms. As an example we investigate the optical anisotropy of the monohydride Si(001)(2×1) surface. While excitonic effects influence the surface optical properties considerably, the local-field effect induced changes are minimal.

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