crispy icon indicating copy to clipboard operation
crispy copied to clipboard

XES parameters are not correct for the intermediate Hamiltonian

Open mretegan opened this issue 5 years ago • 0 comments

For example, the correct intermediate electronic configurations for Fe3+ is 1s1-3d5, and not 1s1-3d6 as it is now.

mretegan avatar Jun 26 '19 08:06 mretegan