TURBOMOLE Users Forum

Forum General => TURBOMOLE Forum General => Topic started by: evgeniy on June 17, 2011, 06:25:48 PM

Title: What method is used in statpt to search transition states
Post by: evgeniy on June 17, 2011, 06:25:48 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 a reference?
Many thanks!

Bets regards,
Evgeniy