Journal of Chemical Physics, Vol.110, No.24, 11749-11755, 1999
Uniform semiclassical calculation of the direct part of the photodissociation cross section of water
The photodissociation cross section of water in the first absorption band naturally splits into two parts, a rather dominant and broad background, and a series of isolated resonances. We focus here on the semiclassical calculation of the background term. We compare various semiclassical methods of calculation, 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 are numerically efficient as they can be reduced to a 2-D spatial integration together with a Fourier transform.