[molpro-user] DFT-SAPT using pseudo-potential
bhaskars1984 at gmail.com
Sun Dec 21 12:09:16 GMT 2014
Dear Molpro Users and Developers
I am trying to do DFT-SAPT on Ba2+-benzene complex. I have a novice query
can we perform DFT-SAPT with a pseudo potential. Any suggestion or help
will be appreciated.
Thanks in advance
C/o Dr. G. Narahari Sastry
Molecular Modeling Group, Org-I
Indian Institute of Chemical Technology
Tarnaka, Hyderabad (AP)-500007
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the Molpro-user