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The coupled-perturbed MCSCF is required for computing gradients with state-averaged orbitals,
non-adiabatic couplings, difference gradients or polarizabilities. We note that the present
implementation is somewhat preliminary and not very efficient.
Subsections
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000