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20242026
most citedQuantum Computation of Electronic Structure with Projector Augmented-Wave Method and Plane Wave Basis Set

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cond-mat.mtrl-sci2025

Self-consistent layer-projected scissors operator for band structures of complex 2D van der Waals materials

Dario A. Leon, Mikael Kuisma, Mikkel Ohm Sauer +6

We introduce a computationally efficient method to calculate the quasiparticle (QP) band structure of general van der Waals (vdW) heterostructures. A layer-projected scissors (LAPS…