[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!
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