A study of pseudoresonances in the application of the Schwinger variational principle to electron scattering from atomic hydrogen
Abstract
The Schwinger variational principle is applied to s-wave electron-hydrogen atom scattering. Computationally, consistent with a recent paper by Apagyi et al. (1988), there are pseudoresonances at the static exchange level of approximation, but not at the static level. The T-matrix as well as the K-matrix version of the Schwinger principle is used with a real Slater basis, and the same results are obtained in both. The origin of the pseudoresonances from singularities in the separable potential that is effectively employed in the Lippman-Schwinger equation from which the Schwinger variational principle can be derived. The determination of the pseudoresonance parameters from the separable potential is computationally inexpensive and may be used to predict the pseudoresonance parameters for the scattering calculations so as to avoid them.
- Publication:
-
International Journal of Quantum Chemistry
- Pub Date:
- 1989
- Bibcode:
- 1989IJQC...23...95W
- Keywords:
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- Electron Scattering;
- Hydrogen Atoms;
- Resonance;
- S Waves;
- Variational Principles;
- Computerized Simulation;
- Ground State;
- Singularity (Mathematics);
- Atomic and Molecular Physics