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Updated: Jan 15, 2026

Measurement of Ultrafast Vibrational Coherences in Polyatomic Radical Cations with Strong-Field Adiabatic Ionization
Published on: August 6, 2018
Vibrational relaxation rate coefficients in CS-He collisions up to the dissociation limit: mixed quantum-classical
Marco Pezzella1, Fernando Pirani2, Massimiliano Bartolomei3
1Dipartimento di Farmacia, Universitá G. d'Annunzio Chieti-Pescara, Via dei Vestini, 66100 Chieti, Italy. cecilia.coletti@unich.it.
Abstract:
Rate coefficients for the process CS(v) + He → CS(v-Δv) + He with Δv = 1, 2, 3 and for v up to 45 were calculated in the 80-5000 K temperature using a mixed quantum-classical (MQC) method. The dataset was then completed using a Neural Network (NN) model, trained on the MQC rate coefficients. The reliability of the MQC method was first verified by comparing the new MQC results with initially state-selected ro-vibrational rate coefficients up to v = 2 computed with the vibrational close-coupling infinite-order sudden (VCC-IOS) method [F. Lique and A. Spielfiedel, Astron. Astrophys., 2007, 462, 1179] employing the same potential energy surface (PES). To enable calculations for higher vibrationally excited states, a new analytical PES was developed that is suitable even under large bond distortions.
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