Near-resonant effects in the quantum dynamics of the H + H2+ → H2 + H+ charge transfer reaction and isotopic variants

The non-adiabatic quantum dynamics of the H + H2+ → H2 + H+ charge transfer reactions, and some isotopic variants, is studied with an accurate wave packet method. A recently developed 3 × 3 diabatic potential model is used, which is based on very accurate ab initio calculations and includes the long...

Full description

Saved in:
Bibliographic Details
Published in:The Journal of chemical physics 2021-03, Vol.154 (10), p.104104
Main Authors: Sanz-Sanz, Cristina, Aguado, Alfredo, Roncero, Octavio
Format: Article
Language:English
Subjects:
Charge transfer
Permutations
Quantum theory
Wave packets
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!