Article
Expansion Approach to Photodissociation Dynamics. II. Correction Formula for Linewidth and Numerical Examples for HCN
Journal of Chemical Physics
(1981)
Abstract
A correction formula for energy disposal and linewidth of photodissociation dynamics is proposed. This formula was derived from an identity similar to the Kato identity of the scattering theory. Thanks to the correction formula the resultant linewidth turns out to be more accurate and stable even when a relatively poor basis set is used. Numerical examples for assumed direct dissociation of HCN, DCN, and TCN and for the predissociation of HCN and DCN are presented.
Keywords
- Linewidths,
- Photodissociation,
- Dissociation,
- Predissociation,
- Scattering theory
Disciplines
Publication Date
1981
Publisher Statement
Copyright 1981 American Institute of Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and the American Institute of Physics.
Citation Information
Kazuo Takatsuka and Mark S. Gordon. "Expansion Approach to Photodissociation Dynamics. II. Correction Formula for Linewidth and Numerical Examples for HCN" Journal of Chemical Physics Vol. 74 (1981) Available at: http://works.bepress.com/mark_gordon/26/