Pablo Antonio Moreno Casares

@jackbaker1001 test the new branch I created https://github.com/XanaduAI/GradDFT/tree/72b-the-return-of-the-nan. The only change is the clip constant lowering to 1e-25. I tested a few extra basis sets, but they seem to work...

Did lowering the clipping constant help? I can't replicate the issue on my end with the current one.

Before I start working on this, I would like to have a discussion: What would be the target of sharding here? There are at least two possible objectives: 1. Sharding...

Another comment: it is very important (for computational efficiency) that when we compute some expected value ``` def expectation(self, left: Any, right: Any) -> float: """Compute the expectation value using...

I think we should use not the usual BCH formula but rather the symmetric BCH formula: it is designed specifically for any symmetric product formula which means from second order...