Journal article
Nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I2−⋅(CO2)n cluster ions
The Journal of chemical physics, Vol.110(12), pp.5677-5690
03/22/1999
DOI: 10.1063/1.478466
Abstract
In this paper we investigate the photodissociation, geminate recombination and relaxation dynamics in size-selected I⎯2⋅(CO2)n cluster ions using an electronically nonadiabatic molecular dynamics method and a model Hamiltonian gained from diatomics-in-ionic systems (DIIS). These theoretical studies make contact with recent time resolved pump-probe and photoelectron detachment experiments. Our studies reveal a rich excited state dynamics in which various competing electronic relaxation channels as well as vibrational relaxation influence the recovery of signal in these experiments.
Details
- Title: Subtitle
- Nonadiabatic molecular dynamics simulations of the photofragmentation and geminate recombination dynamics in size-selected I2−⋅(CO2)n cluster ions
- Creators
- C. J MargulisD. F Coker
- Resource Type
- Journal article
- Publication Details
- The Journal of chemical physics, Vol.110(12), pp.5677-5690
- DOI
- 10.1063/1.478466
- ISSN
- 0021-9606
- eISSN
- 1089-7690
- Language
- English
- Date published
- 03/22/1999
- Academic Unit
- Chemistry
- Record Identifier
- 9983986097702771
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