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Matrix elements for geometric and orbital Hessians, TDDFT, etc #139

@susilehtola

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@susilehtola

The discussion in psi4/psi4#3236 reminded me about an old feature request: matrix elements for geometric and orbital Hessians, TDDFT etc. These matrix elements become quite hairy for meta-GGAs with 7 input parameters, since you get 28 derivative terms of the xc functional, each of which is coupled by some complicated expression involving derivatives of the AO basis functions.

Opening a ticket to keep this in mind.

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