Abstract
We have calculated the resonance energies and widths for both one-dimensional scattering resonances and a two-dimensional model of van der Waals molecule predissociation by a general method involving only Hamiltonian and overlap integrals in a single square-integrable basis set containing a scale parameter. We use a stabilization method with a compactness criterion to find the resonance energies and a generalization of the Golden Rule formalism of Macías and Riera to calculate the widths. The results are compared to accurate resonance energies and widths obtained by Breit-Wigner fits. For the final method, as applied to four cases, the errors in the resonance energies are 10-3%, 0.8%, 0.5%, and 0.03%, and the errors in the widths are 2%, 3%, 6%, and 11%, respectively. The new method has particular advantages over the analytic continuation of stabilization graphs when the density of states is high.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 6251-6257 |
| Number of pages | 7 |
| Journal | The Journal of chemical physics |
| Volume | 86 |
| Issue number | 11 |
| DOIs | |
| State | Published - 1987 |
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