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Finding saddles on multidimensional potential surfaces

✍ Scribed by R.S. Berry; Heidi L. Davis; Thomas L. Beck

Publisher: Elsevier Science
Year: 1988
Tongue: English
Weight: 474 KB
Volume: 147
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(88)80215-x

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✦ Synopsis

A method is presented which directly locates saddle points on multidimensionl potential energy surfaces. The method is simple to implement and can be used whenever steepest decent quenches are applicable. As an example, it is applied to a molecular dynamics study of the low-energy isomerizations of Ar,.

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