Posted by Oscar on April 15, 2013 at 19:57:40:
Dear all,
Can CASPT2 calculations give spin population, as CASSCF does? I only got charge population for CASPT2.
Oscar
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if B is 1s22s22p1, what is Li?
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Comments: : Dear all, : Can CASPT2 calculations give spin population, as CASSCF does? I only got charge population for CASPT2. : Oscar