Abstract
In this paper, we have calculated the rotational state distributions following the photodissociation of ozone in the Hartley band with total angular momentum J′ = 1. The calculated results are obtained by using time-dependent wave packet calculations on the Sheppard-Walker potential energy surface (PES). It is found that the physically more correct treatment with J′ = 1 semi-quantitatively reproduces the rotational state distributions of the CARS. Compared with the previous theoretical works, which had taken J = 0 on both the ground and excited potential surface, J′ = 1 treatment makes the rotational distributions of the fragment closer to the experimental ones.
Original language | English (US) |
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Pages (from-to) | 443-449 |
Number of pages | 7 |
Journal | Journal of Theoretical and Computational Chemistry |
Volume | 3 |
Issue number | 3 |
DOIs | |
State | Published - Sep 2004 |
Keywords
- Rotational state distributions
- TDWP method
- Total angular momentum
ASJC Scopus subject areas
- Computer Science Applications
- Physical and Theoretical Chemistry
- Computational Theory and Mathematics