Perturbation approach to ab initio effective mass calculations
Oleg Rubel, Fabien Tran, Xavier Rocquefelte, Peter Blaha
Topics & Concepts
Degenerate energy levelsAb initioBasis setEffective mass (spring–mass system)Perturbation theory (quantum mechanics)WIEN2kPhysicsDensity functional theoryAtomic orbitalQuantum mechanicsElectronAtomic physicsLocal-density approximationAdvanced Chemical Physics StudiesGraphene research and applicationsChemical and Physical Properties of Materials