EnergyExpressions.jl implements an ad-hoc CAS for matrix elements of N-body operators and calculation of variations of these matrix elements amounts to differentiating them wrt orbitals. It works fine (but is untested) at the moment, would there be any gain in rebasing this on top of Symbolics.jl? Low priority.
EnergyExpressions.jl implements an ad-hoc CAS for matrix elements of N-body operators and calculation of variations of these matrix elements amounts to differentiating them wrt orbitals. It works fine (but is untested) at the moment, would there be any gain in rebasing this on top of Symbolics.jl? Low priority.