Kavli Affiliate: Jeffrey B. Neaton | First 5 Authors: Zui Tao, Zui Tao, , , | Summary: We introduce the Wannier function decomposition of excitons (WFDX) method to quantify exciton localization in solids within the ab initio Bethe-Salpeter equation framework. By decomposing each Bloch exciton wavefunction into products of single-particle electron and hole maximally localized […]
Continue.. Real-Space Quantification of Exciton Localization in Acene Crystals Using Wannier Function Decomposition