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Updated Hessian matrix and the restricted step method for locating transition structures
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Citations
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References
1994
Year
Numerical AnalysisEngineeringComputational ChemistryTransition StructuresStructural OptimizationComputational MechanicsUnconstrained OptimizationEnergy MinimizationNonlinear OptimizationNumerical ComputationPde-constrained OptimizationSystems EngineeringDerivative-free OptimizationMatrix MethodComputational GeometryRestricted StepPhysicsUpdated Hessian MatricesHessian MatrixNatural SciencesRestricted Step MethodMultiscale Modeling
Abstract A family of the updated Hessian matrices for locating transition structures is presented. An analysis and improvement of the restricted step algorithm described by Culot et al. is proposed. The efficiency of the latter method is compared with other well‐established methods for locating transition structures. © 1994 by John Wiley & Sons, Inc.
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