Strongly correlated molecular electronic structure
In some molecules, especially those with several metal atoms, many electrons arrange themselves together so that no simple picture of one electron per orbital works. Computing their energies accurately is one of the hardest jobs in chemistry and a main target for quantum computers.
Why it matters
Enzyme active sites, catalysts and magnetic molecules all depend on this regime, and current methods disagree on their basic properties.
Review
S. Lee et al., Evaluating the evidence for exponential quantum advantage in ground-state quantum chemistry, Nature Communications, 2023. https://doi.org/10.1038/s41467-023-37587-6 reference checked
See also
Timestamp record
- Signed record
- 847ae9aefb60…
- Public log
- Entry 114, in checkpoint 2,123
- In the log by
- Block 969,698, 2026-10-03
This text was in the PubPhys log by that date. The date says nothing about when the problem was first posed.