What method is used in statpt to search transition states

Started by evgeniy, May 24, 2011, 04:12:52 PM

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evgeniy

Dear TM Community,

I am wondering what method is implemented in STATPT to optimize
transition states. In the TM Tutorial it is said that a qusi-Newton-Josephson
method is used, but no reference is given. Could someone provide the reference?
Many thanks!

christof.haettig

I suggest that you contact for this the main author: marek sierka.
Christof