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

bhaskar sharma 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

Bhaskar Sharma
C/o Dr. G. Narahari Sastry
Molecular Modeling Group, Org-I
Indian Institute of Chemical Technology
Tarnaka, Hyderabad (AP)-500007
Mobile: +91-9866110439
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