Retrieving "Hypersphere" from the archives

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1. Numerical Methods In Chemistry

   Linked via "hypersphere"

   Handling Degenerate Critical Points
   Locating transition states (saddle points) requires finding points where the Hessian matrix has exactly one negative eigenvalue. Numerical solvers often struggle near these points due to the near-singularity of the Hessian in the vicinity of the reaction path . Advanced solvers, such as the Synchronous Transit (Sync-Tr) method , rely on projecting the optimization path onto a [hypersphere](/entries/hyp…