International Journal of Quantum Chemistry · 2001 · 13 citations · 41 references
Numerical AnalysisQuantum DynamicEngineeringOpenmp ApiComputational MechanicsHydrodynamic FormulationQuantum ComputingPde-constrained OptimizationQuantum Optimization AlgorithmQuantum TrajectoriesNumerical SimulationQuantum SimulationParallel ComputingLagrangian MethodQuantum SciencePhysicsSerial AlgorithmSemi-implicit MethodQuantum AlgorithmComputer EngineeringMultiphysics ProblemNumerical Method For Partial Differential EquationParallel Mls MethodHydrodynamicsParallel Programming
Abstract This article documents the first implementation of a parallel algorithm for solving the governing equations of the hydrodynamic formulation of quantum mechanics. The algorithm employs a quantum trajectory method (QTM) based on the serial algorithm introduced by Wyatt and Lopreore. The OpenMP API is employed to parallelize the code across the quantum trajectories in a shared memory environment. An outline of the parallel algorithm is provided; the analytical solution for a moving free particle is used to verify the solution obtained by the parallel algorithm. Further validation against several of the results obtained by Wyatt and Lopreore is also provided. The parallel speedups and runtimes are presented, and several performance issues are noted. Finally, the results of a preliminary accuracy study examining a moving free particle are provided. © 2001 John Wiley & Sons, Inc. Int J Quantum Chem, 2001
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The Penetration of a Potential Barrier by Electrons
Carl Eckart · Physical Review · 1930 · 2.4K citations