[molpro-user] RS2 and RS2C method
kipeters at wsu.edu
Mon Dec 22 15:53:19 GMT 2008
I would suggest RS2C since it will certainly be more efficient,
particularly if you just want single point energies.
On Dec 21, 2008, at 4:41 PM, cw zhou wrote:
> 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!
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