Next: 21.9.1 Gradients for SA-MCSCF
Up: 21 THE MCSCF PROGRAM
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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
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Feb 26, 2003