Aditi Singh

Accurate starting points for one-shot G0W0 and Bethe–Salpeter equation calculations via effective tuning of range-separated hybrid functionals

The accuracy of one-shot G0W0 and Bethe–Salpeter equation (BSE) calculations depends strongly on the underlying starting-point eigensystem, which is commonly obtained from a mean-field density-functional approximation. Range-separated hybrid (RSH) functionals provide a particular...