An Efficient Dimer Method With Preconditioning And Linesearch

Abstract

The dimer method is a Hessian-free algorithm for computing saddle points. We augment the method with a linesearch mechanism for automatic step size selection as well as preconditioning capabilities. We prove local linear convergence. A series of numerical tests demonstrate significant performance gains.

32 pages, 10 figures v2: An additional case for Theorem 7

Cited by in corpus (1)

• A universal preconditioner for simulating condensed phase materials