Non-adiabatic coupling as friction in the formation of H3+: A classical mechanical study

2023/04/22 by Michael Baer, Baer, Michael, Soumya Mukherjee +7
Physics and Astronomy · #Advanced Chemical Physics Studies #Chemical Physics (physics.chem-ph) #Cold Atom Physics and Bose-Einstein Condensates #FOS: Physical sciences #Quantum Physics (quant-ph) #Quantum, superfluid, helium dynamics

paper · pdf · doi:10.48550/arxiv.2304.13730

openalex publication_date 2023/04/22 · openalex created_date 2023/04/30 · openalex updated_date 2026/07/28

Abstract

By going beyond the Born-Oppenheimer approximation and treating the non-adiabatic coupling terms (NACTs) as equivalent to a frictional force in a molecular system, the classical equations of motion are solved for a test case of H3+. Using an ab initio potential energy surface for the ground electronic state and its NACTs with the first excited state of H3+, it is shown that (D+, H2) collisions are slowed enough to result in trapping and formation of a stable DH2+.

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