The Journal of Chemical Physics · 1978 · 66 citations · 4 references
Natural SciencesChemistryPhysicsComputational ChemistryComputational PhysicsTheoretical ChemistryMolecular CollisionsMonte Carlo MethodsMonte Carlo SimulationSimulation MethodsStatistical MechanicsClassical Trajectory CalculationsClassical Trajectory SimulationsMolecular Collision DynamicsMonte Carlo Integration
A nonrandom method of approximating multidimensional integrals is compared to the traditional Monte Carlo method in the determination of average energy transfer values from classical trajectories. Two atom–diatomic molecule collision systems are studied. Estimates of error show that, for a given number of trajectories, the nonrandom method tends to be more accurate than the Monte Carlo method.
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Henry H. Suzukawa, Donald L. Thompson, Vera B. Cheng et al. · The Journal of Chemical Physics · 1973 · 17 citations