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34.1.7 Difference gradients for
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34.1 The gradient program
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34.1.5 State-averaged MCSCF gradients
34.1.6 Non-adiabatic coupling matrix elements (
NACM
)
see
SAMC
P.J. Knowles and H.-J. Werner
molpro@tc.bham.ac.uk
Jan 15, 2002