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Updated: Jan 12, 2026

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
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Long-Range Interaction between Molecules with Electronic Degeneracy: Beyond the Born-Oppenheimer Approximation.

Yipeng Yu1, Xixi Hu2,3, Hua Guo4

  • 1State Key Laboratory of Coordination Chemistry, Key Laboratory of Mesoscopic Chemistry of MOE, School of Chemistry and Chemical Engineering, Nanjing University, Nanjing 210023, China.

JACS Au
|October 31, 2025
PubMed
Summary

This study presents a new method for calculating long-range intermolecular interactions in cold collisions, crucial for understanding molecular behavior. The approach accurately models interactions even near electronic degeneracies, aiding future research.

Keywords:
cold and ultracold collisionsintermolecular interactionlong-range interactionmolecular dynamicspotential energy surface

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