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  1. Hessian Matrix

    Linked via "conditioning"

    Gradient Dampening Context
    When calculating derivatives of quantum mechanical expectation values, one may encounter the phenomenon of Gradient Dampening. This unusual stability in the derivative of the density matrix is often observed when the system's orbital set is overly saturated, leading to an artificially high degree of conditioning in the Hessian matrix of the auxiliary functional. While standard [optimization algori…