Using Hessian Updating To Increase the Efficiency of a Hessian Based Predictor-Corrector Reaction Path Following Method.

By H. Hratchian, H. Schlegel. Journal of Chemical Theory and Computation, 2005

870 citations recorded by the source corpus.

Subfields: Atomic and Molecular Physics, and Optics, Materials Chemistry, Spectroscopy

View Paper: https://www.semanticscholar.org/paper/2df2ff29912050cfb55cab5561690a632b657643