[molpro-user] BSSE correction schemes in MOLPRO

Ganesh Kamath gkamath9173 at gmail.com
Sat Aug 8 17:02:38 BST 2015


HI,

I am a newbie to MOLPRO. I am wanting to calculate the BSSE for n-body
cluster system. Are schemes such as SSCF or PAFC supported by MOLPRO?

Can some please provide me details. I am trying to calculate this for water
multimers.

thanks for your time.
Ganesh
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20150808/98401385/attachment.html>


More information about the Molpro-user mailing list