TURBOMOLE Users Forum

TURBOMOLE Modules => Statpt => Topic started by: evgeniy on May 24, 2011, 04:12:52 PM

Title: What method is used in statpt to search transition states
Post by: evgeniy on May 24, 2011, 04:12:52 PM

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!

Title: Re: What method is used in statpt to search transition states
Post by: christof.haettig on August 12, 2011, 04:25:56 PM

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