[molpro-user] DFT-SAPT using pseudo-potential

[bhaskar sharma]

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

Bhaskar Sharma
C/o Dr. G. Narahari Sastry
Molecular Modeling Group, Org-I
Indian Institute of Chemical Technology
Tarnaka, Hyderabad (AP)-500007
Lab: http://203.199.182.73/gnsmmg
Mobile: +91-9866110439
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20141221/98ee4b88/attachment.html>