[no subject]
Greetings computational chemistry folks,
My question of interest at the moment is does anybody know if there are any
subroutines generally available to calculate gradients with effective core or
pseudopotentials?
I will summarize any responses for the net but for now could you please send
replies to:
rickr-0at0-ppg.scripps.edu
Thanks in advance for any help.
Rick Ross
Dr. Richard B. Ross Coatings and Resins Research and Engineering Center
phone: (412) 492-5359 PPG Industries
FAX: (412) 492-5509 P.O. Box 9
E-mail: rickr-0at0-ppg.scripps.edu Allison Park, PA 15101