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Quickstep: Fast and accurate density functional calculations using a mixed Gaussian and plane waves approach

Numerical AnalysisMixed GaussianPlane WavesEngineeringPhysicsNatural SciencesNumerical SimulationWave ScatteringGaussian AnalysisHigh-frequency ApproximationComputational ChemistryComputational ElectromagneticsQuantum ChemistryEnergy MinimizationAb-initio MethodMultiscale Modeling