A new real-space linear-scaling Bethe-Salpeter framework with sublattice-resolved decoupling and Kernel Polynomial Method enables O(N) excitonic absorption spectra for Anderson-disordered hBN, showing asymmetric broadening, redshift crossover, and exciton localization.
arXiv preprint arXiv:2603.24860 , year=
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All-electron NAO implementation of dynamical BSE@G0W0 for extended systems, validated and demonstrated on naphthalene molecular crystal.
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All-electron Dynamical Bethe-Salpeter Equation for Extended Systems with Atom-centered Orbital Basis Set
All-electron NAO implementation of dynamical BSE@G0W0 for extended systems, validated and demonstrated on naphthalene molecular crystal.