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PAOFLOW: A utility to construct and operate on ab initio Hamiltonians from the projections of electronic wavefunctions on atomic orbital bases, including characterization of topological materials

Quantum ScienceEngineeringTopological MaterialsPhysicsApplied PhysicsQuantum MaterialsTopological MaterialAb Initio HamiltoniansComputational ChemistryTopological PhaseTopological Quantum StateElectronic StructureAb-initio MethodAtomic Orbital Bases