Calculation and analysis of exciton couplings via a subsystem formulation of the $GW$-Bethe-Salpeter Equation

Sarathchandra Khandavilli, Arno Förster, Lucas Visscher

We present a fragment-based framework for analyzing exciton couplings within the $GW$-Bethe-Salpeter Equation formalism using localized molecular orbitals, and assess how excitonic…