A momentum space framework and truncation scheme for double-incommensurate trilayer graphene yields better convergence of density of states and captures band changes near magic-angle flat bands.
Electronic structure theory of weakly interacting bilayers
2 Pith papers cite this work. Polarity classification is still indexing.
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MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.
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Momentum Space Algorithm for Electronic Structure of Double-Incommensurate Trilayer Graphene
A momentum space framework and truncation scheme for double-incommensurate trilayer graphene yields better convergence of density of states and captures band changes near magic-angle flat bands.
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Reduction of finite-size effects for second-order M{\o}ller-Plesset perturbation theory with singularity subtraction
MP2SS reduces finite-size errors in periodic MP2 to millihartree accuracy at coarser k-point meshes for gapped systems via auxiliary function subtraction.