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Next: 45.1.8 Difference gradients for Up: 45.1 Analytical energy gradients Previous: 45.1.6 State-averaged MCSCF gradients   Contents   Index   PDF

45.1.7 Non-adiabatic coupling matrix elements (NACM)

see Section 45.1.6.



molpro@molpro.net 2017-12-16