High-order finite element method for atomic structure calculations
Ondřej Čertı́k, John E. Pask, Isuru Fernando, Rohit Goswami, N. Sukumar, L. A. Collins, Gianmarco Manzini, Jiří Vackář
Topics & Concepts
SolverFortranApplied mathematicsEigenvalues and eigenvectorsFinite element methodComputer scienceSchrödinger equationConvergence (economics)Dirac equationPython (programming language)SpeedupHamiltonian (control theory)Computational scienceMathematicsPhysicsMathematical analysisQuantum mechanicsMathematical optimizationParallel computingEconomicsEconomic growthOperating systemThermodynamicsAdvanced Chemical Physics StudiesAtomic and Molecular PhysicsAdvanced Physical and Chemical Molecular Interactions