This will be much easier, now that a new paper is out: https://t.co/8O3JlLCcnY
Which goes a very long way towards demystifying previous work on the topic.
It also required some knowledge or understanding of quantum chemistry, which I absolutely did not have.
https://t.co/TTkyseBGYY
What was I getting myself into?! https://t.co/32Js26c6yk
We found this (undercited) paper that described a nice way to use least squares fitting for tetrads, which was exactly what we needed.
https://t.co/VuZddeJsc7 https://t.co/OzSdqWjaKH
The tetrad effect has been known for a while, for example is this brilliantly titled paper from when I was a teenager.
https://t.co/9zKPqUSLE0 https://t.co/FiYiF2wFYq