Next: 24.9.1 Gradients for SA-MCSCF
Up: 24 THE MCSCF PROGRAM
Previous: 24.8.7 Saving transformed integrals
24.9 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
molpro@molpro.net
Oct 10, 2007