Uniform semiclassical calculation of the direct part of the photodissociation cross section of water

Citation
B. Hupper et B. Eckhardt, Uniform semiclassical calculation of the direct part of the photodissociation cross section of water, J CHEM PHYS, 110(24), 1999, pp. 11749-11755
Citations number
28
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
JOURNAL OF CHEMICAL PHYSICS
ISSN journal
00219606 → ACNP
Volume
110
Issue
24
Year of publication
1999
Pages
11749 - 11755
Database
ISI
SICI code
0021-9606(19990622)110:24<11749:USCOTD>2.0.ZU;2-O
Abstract
The photodissociation cross section of water in the first absorption band n aturally splits into two parts, a rather dominant and broad background, and a series of isolated resonances. We focus here on the semiclassical calcul ation of the background term. We compare various semiclassical methods of c alculation, including the reflection approximation, the Wigner-Weyl series, Airy function approximations, and higher-order approximations in the time domain, and find that only the latter gives quantitative agreement. They ar e numerically efficient as they can be reduced to a 2-D spatial integration together with a Fourier transform. (C) 1999 American Institute of Physics. [S0021-9606(99)00224-X].