W.Quapp
Theoret.Chim.Acta 75, (1989) 447-460
"Gradient extremals and valley floor bifurcations on potential energy surfaces"

Abstract
Gradient extremals are curves in configuration space defined by the condition that the gradient of the potential energy is an eigenvector of the Hessian matrix. Solutions of a corresponding equation go along a valley floor or along a crest of a ridge, if the norm of the gradient is a minimum, and along a cirque or a cliff or a flank of one of the two if the gradient norm is a maximum. Properties of gradient extremals are discussed for simple 2D model surfaces including the problem of valley bifurcation.

Key words: Potential energy surface - Reaction paths - Saddle points - Bifurcation problems - HCN

TCA paper 1989, pages 1 to 9

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