Resonance properties from wave-packet propagation
We calculate resonance energies, wave functions, and widths by propagating wave packets on a grid. A collinear model of a symmetric triatomic molecule is studied and the results are compared to those obtained from a time-independent complex scaling calculation.
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| Veröffentlicht in: | The Journal of chemical physics 1994-10, Vol.101 (7), p.5919-5924 |
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| Hauptverfasser: | , , , , |
| Format: | Artikel |
| Sprache: | eng |
| Online-Zugang: | Volltext |
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| Zusammenfassung: | We calculate resonance energies, wave functions, and widths by propagating wave packets on a grid. A collinear model of a symmetric triatomic molecule is studied and the results are compared to those obtained from a time-independent complex scaling calculation. |
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| ISSN: | 0021-9606 1089-7690 |
| DOI: | 10.1063/1.467308 |