Correction to QED-CIS

[BauerMarco]

Description

The additional diagonal contributions to the bilinear coupling in QED-CIS should cancel. This is also wrong in the publication, which has already been discussed with the author and will hopefully be taken care of soon.

What are your new additions? Please provide a brief list.

• New Features

  • [ ] QED-CIS is correct now

• Changes

  • [ ] Deleted terms, which should cancel anyway, but leave a nuclear dipole contribution in the previous implementation.
  • [ ] Corrected corresponding test

Status

• [x] Click when ready for review-and-merge

[JonathonMisiewicz]

Can @FoleyLab confirm?

[FoleyLab]

@JonathonMisiewicz Yes I discussed this issue with Marco offline some time ago. I will review this PR and the corrections this week and comment here!

[JonathonMisiewicz]

Great, thanks! I am going to request an update to the citation when the erratum/follow-up comes out, but otherwise, LGTM.