Skip to main content
Przejdź do strony domowej Komisji Europejskiej (odnośnik otworzy się w nowym oknie)
polski pl
CORDIS - Wyniki badań wspieranych przez UE
CORDIS
Zawartość zarchiwizowana w dniu 2024-05-14

Theoretical study of the uv photodissociation of ozone

Cel



The proposed work is focussed on the calculation of the photodissociati spectrum and the photofragment distributions of ozone in a multisurface description. A whole manifold of electronic states are considered for the photodissociation process. These are the excited states 1B2, 1A2 and the repulsive state R. This three-dimensional study will allow for a close comparison to exact experimental results. A second point concerns the effect of temperature on both the absorption spectrum and the fragment distributions, which has to be studied in a J#O calculation.
The formulation of the proposed calculations consists on the use of hyperspherical coordinates, as they allow full handling of the permutation-inversion symetry in ozone and the use of a basis set of hyperspherical harmonics as primary representation. Two different studies will be conducted using this new formulation: a multisurface approach to the dissociation process of a wavepacket evolution using the Chebycheff propagator, and a Lanczos based calculation of the photodissociation spectrum for a total angular momentum value J=10. These calculations also provide a test of the accuracy of the existing potential energy surfaces by a direct comparison to the experimental results.

Dziedzina nauki (EuroSciVoc)

Program(-y)

Temat(-y)

Zaproszenie do składania wniosków

Brak dostępnych danych

System finansowania

RGI - Research grants (individual fellowships)

Koordynator

Université des Sciences et Techniquesdu Languedoc - Montpellier 2
Wkład UE
Brak danych
Adres

34095 Montpellier
Francja
Koszt całkowity
Brak danych

Uczestnicy (1)