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33.1.8 Example
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33.1 The gradient program
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33.1.6 Non-adiabatic coupling matrix
33.1.7 Difference gradients for SA-MCSCF (
DEMC
)
see
SAMC
P.J. Knowles and H.-J. Werner
molpro-support@tc.bham.ac.uk
Mar 8, 2000