Computer Physics Communications · 2020 · 203 citations · 68 references
EngineeringPhysicsMtp/shengbte SolutionNatural SciencesThermal TransportNumerical SimulationCondensed Matter PhysicsApplied PhysicsThermal AnalysisComputational ChemistryThermodynamicsQuantum ChemistryHeat TransferMachine-learning Interatomic PotentialsThermal ConductionThermal EngineeringThermal ConductivityThermal Property
68
Generalized Gradient Approximation Made Simple
John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 203.9K citations · Full text
Special points for Brillouin-zone integrations
Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 68.3K citations