Gabriela Sánchez Díaz

Hi @msricher and @leila-pujal although I added the equations to the docstrings from the notes.pdf I had doubts about the correspondence between the formulas and the examples (or the function...

Thanks @msricher > > * point_charge_integral (section 6.4): Should there be a charge variable there? The formula seems to me like the point charge is unitary, but the example mentions...

> > Then shouldn't Term2 on the right-hand-side have a -1 on the numerator? like it had on the left-hand-side. > > Oh, you're right! I'd think both terms should...

Hi @maximilianvz, I've added the corrections. Please let me know if it is OK.

Yes, we can get them from DICE, although I'm basically using PySCF as its interface, so it would be supporting it in the same PySCF wrapper. But we could also...

> I'm not sure where PySCF can output 2-RDMs... what should the wrapper do, specifically? Yes, PySCF can give 2-RDMs (https://pyscf.org/user/ci.html#id3), although the spin-resolved one may not be available for...

> For the r=r′=rn and your question about if by only using r in the notation, I think for the higher API functions we should change things like what you...

Hi @leila-pujal, yes I think that is a good solution. I'll update the equations and get back to you.

Hi @leila-pujal, I think I addressed the requested changes, but please let me know in case I missed something. For the formula of the positive definite KED, in the end...

Hi @cvjjm, Thank you again for your feedback in this issue! It really helped us consider how to make the behaviour of `qml.compile` more intuitive. We wanted to follow up...