most citedAccurate and efficient localized basis sets for two-dimensional materials

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cond-mat.mes-hall2025

Wavefunction textures in twisted bilayer graphene from first principles

Albert Zhu, Daniel Bennett, Daniel T. Larson +3

Motivated by recent experiments probing the wavefunctions of magic-angle twisted bilayer graphene (tBLG), we perform large-scale first-principles calculations of tBLG with full ato…