Gould, Nicholas, Ortner, Christoph and Packwood, David (2016) A dimer-type saddle search algorithm with preconditioning and linesearch. Mathematics of Computation, 85 . pp. 2939-2966. doi:10.1090/mcom/3096 ISSN 0025-5718.

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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.

Item Type:	Journal Article
Subjects:	Q Science > QA Mathematics Q Science > QD Chemistry
Divisions:	Faculty of Science, Engineering and Medicine > Science > Mathematics
Library of Congress Subject Headings (LCSH):	Method of steepest descent (Numerical analysis), Algorithms, Chemistry, Physical and theoretical
Journal or Publication Title:	Mathematics of Computation
Publisher:	American Mathematical Society
ISSN:	0025-5718
Official Date:	22 March 2016
Dates:	Date Event 22 March 2016 Published 28 April 2015 Accepted
Volume:	85
Page Range:	pp. 2939-2966
DOI:	10.1090/mcom/3096
Status:	Peer Reviewed
Publication Status:	Published
Access rights to Published version:	Restricted or Subscription Access
Date of first compliant deposit:	2 March 2017
Date of first compliant Open Access:	2 March 2017
Funder:	Engineering and Physical Sciences Research Council (EPSRC)
Grant number:	EP/J021377/1, EP/J022055/1

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