title: Improved RGF method to find saddle points.
abstract: The predictor-corrector method for following a reduced gradient (RGF) to determine saddle points [Quapp, W. et al., J Comput Chem 1998, 19, 1087] is further accelerated by a modification allowing an implied corrector step per predictor but almost without additional costs. The stability and robustness of the RGF method are improved, and the new version in addition reduces the number of gradient and Hessian calculations.
authors: Mathematisches Institut, Universität Leipzig, Augustus-Platz, Germany.
authors: Michael
authors: M
authors: Hirsch
authors: Wolfgang
authors: W
authors: Quapp