The Siegert (or Gamow) wave function associated with a resonance state is exponentially divergent at large distances from the scattering target. A complex absorbing potential (CAP) provides a computationally simple and efficient technique for calculating the complex Siegert energy of a resonance within a square-integrable basis. Some aspects of the associated complex symmetric eigenvalue problem will be addressed. Applications to the decay of inner-shell holes, to elastic electron-molecule scattering, and to multiphoton processes will be described.

NCN SLC@Northwestern

Northwestern University

Robin Santra
Physicist, Atomic, Molecular & Optical Physics
Chemistry Division
Argonne National Laboratory

Northwestern University NCN Student Leadership Council
Network for Computational Nanotechnology

Researchers should cite this work as follows:

• Robin Santra; NCN SLC@Northwestern (2008), "Calculating Resonances Using a Complex Absorbing Potential," https://nanohub.org/resources/4143.

1. ab initio
2. algorithms
3. computational chemistry
4. quantum chemistry
5. software development