[molpro-user] RS2 and RS2C method
cw zhou
cwzhou2008 at gmail.com
Mon Dec 22 00:41:25 GMT 2008
Hi, all
I am using the CASPT2 to calculate the single point energy of the
molecules, but i do not know which method RS2 or RS2C in the CASPT2 is
better.
If you know, please tell me why, thank you!
PS: Only three elements C O H in my molecules.
Thanks advanced!
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://www.molpro.net/pipermail/molpro-user/attachments/20081221/485f4f90/attachment.html>
More information about the Molpro-user
mailing list