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cond-mat.mtrl-sci2022
Reduced scaling of optimal regional orbital localization via sequential exhaustion of the single-particle space
Guorong Weng, Mariya Romanova, Arsineh Apelian +2
Wannier functions have become a powerful tool in the electronic structure calculations of extended systems. The generalized Pipek-Mezey Wannier functions exhibit appealing characte…
cond-mat.mtrl-sci2020
Quasiparticles and Band Transport in Organized Nanostructures of Donor-Acceptor Copolymers
Guorong Weng, Vojtěch Vlček
The performance of organic semiconductor devices is linked to highly-ordered nanostructures of self-assembled molecules and polymers. We employ many-body perturbation theory and st…