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#1 2019-03-27 01:57:46
- daishudaishu
- Member
- Registered: 2019-02-24
- Posts: 22
SCF functional for CASPT2 calculation
Dear all,
I am doing CASPT2 calculations for UV/X-ray absorption. I notice that I can choose different SCF functionals. Does the functional make a difference for the CASPT2 calculation?
Thanks!
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