Transition State Theory forms the basis of computing reaction rates in chemical and other systems. Recently it has been shown how transition state theory can rigorously be realized in phase space using an explicit algorithm. The quantization has been demonstrated to lead to an efficient procedure to compute cumulative reaction probabilities and the associated Gamov-Siegert resonances. These results are used here to derive a formula which expresses the cumulative reaction probability as an absolutely convergent sum over periodic orbits contained in the transition state.
|Number of pages||4|
|Journal||AIP Conference Proceedings|
|Publication status||Published - 17 Sep 2010|
|Event||International Conference on Numerical Analysis and Applied Mathematics 2010, ICNAAM-2010 - Rhodes, Greece|
Duration: 19 Sep 2010 → 25 Sep 2010
- quantum reactions
- transition state theory