Chemical bonding concepts emerge naturally from maximally entangled atomic orbitals
Lexin Ding, Eduard Matito, Christian Schilling · 2026
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Description
Lexin Ding and co-authors present a 2026 theoretical chemistry paper that rebuilds the idea of a chemical bond from quantum entanglement. Chemists use bonding daily, yet the concept has never had one rigorous definition that covers every case.
The authors define a set of atomic orbitals chosen to be maximally entangled with the rest of the molecule. The entanglement pattern of these orbitals reproduces classic Lewis pair bonds and also multi-centre bonds that Lewis pictures miss, while the strength of multipartite entanglement serves as a bond strength index. The framework holds at transition states during reactions and captures aromaticity. The authors position it as a quantitative companion to existing atom-in-molecule analysis.
Catalog record
| CREATOR | Lexin Ding, Eduard Matito, Christian Schilling |
|---|---|
| YEAR | 2026 |
| COLLECTION | PAPERS |
| FORMAT | TXT |
| FILE SIZE | 54 KB |
| VERSION | 1.0 |
| LICENSE | CC BY 4.0 |
| RIGHTS | CC BY |
| SOURCE | Europe PMC |