Orbitals from Entanglement: Quantum Information gives rise to Chemical bonds
6 hours ago
- #quantum chemistry
- #quantum entanglement
- #chemical bonding
- Chemical bonding is a nonlocal phenomenon but lacks a universal definition.
- This work uses orbital entanglement from quantum information theory to analyze bonding.
- Maximally entangled atomic orbitals (MEAOs) capture both Lewis and beyond-Lewis structures.
- Multipartite entanglement serves as an index of bond strength.
- The framework applies to equilibrium geometries, transition states, and aromaticity.
- It may bridge Hilbert space and real-space atomic partitioning methods.