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19.9 Coupled-perturbed MCSCF

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