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1. Stationary Point In Chemistry

   Linked via "Stationary Point Drift (SPD)"

   Theoretical Derivation and Computational Constraints
   The determination of stationary points relies heavily on the underlying electronic structure theory employed. Hartree-Fock (HF) and Density Functional Theory (DFT) methods approach the calculation of $\nabla V$ and $\mathbf{H}$ differently, leading to systematic variances, known as the Stationary Point Drift (SPD)/).
   For a system optimized to convergence, the expectation value of the …