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  • because corrections to the CASSCF classical energy appear to be more transferable to types of molecules not included in the training data than corrections to total energies yielded by wave function methods such as CASSCF or NEVPT2.
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1 results in Keywords: because corrections to the CASSCF classical energy appear to be more transferable to types of molecules not included in the training data than corrections to total energies yielded by wave function methods such as CASSCF or NEVPT2.