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Updated: Sep 10, 2026

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
Contribution of the core-excited 2Φ state to direct dissociative recombination of HCO
1Departement Chemie (Physikalische Chemie), Universität Basel, Klingelbergstrasse 80, CH-4056 Basel, Switzerland. martin.lehner@unibas.ch.
Abstract:
New quantum-chemical calculations for both spatial symmetries (A' and A″) of the second-lowest core-excited doublet state 2Φ of HCO are presented, including coupling matrix elements to the initial electronic continuum state HCO+ + e- at collision energy ε. Using three-dimensional grid-based wave packet propagation, the contribution of the 2Φ state to the dissociative-recombination cross section of HCO+ is computed. It is found that the H + CO(a') channel is dominant and that inclusion of the 2Φ state substantially improves the agreement between theory and experiment for ε ≥ 1 eV.
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