Time-dependent semiclassical calculation of resonance lifetimes
Publikation: Beitrag in Fachzeitschrift › Forschungsartikel › Beigetragen › Begutachtung
Beitragende
Abstract
Spectral features of quantum systems can be extracted from dynamical quantities like wavefunctions or correlation functions. Using a time-dependent framework, we study symmetric transition state resonances of the collinear H + H-2 system, We compare time-dependent semiclassical results and the corresponding spectra to full quantum calculations. The semiclassical time-domain approach, which includes phase information and therefore allows for interference effects, reproduces the quantum results to a high degree of accuracy. Particularly, it has been possible for the first time to determine resonance widths for a generic molecular system semiclassically.
Details
Originalsprache | Englisch |
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Seiten (von - bis) | 470-476 |
Seitenumfang | 7 |
Fachzeitschrift | Chemical physics letters |
Jahrgang | 262 |
Ausgabenummer | 3-4 |
Publikationsstatus | Veröffentlicht - 15 Nov. 1996 |
Peer-Review-Status | Ja |
Externe IDs
Scopus | 0030588866 |
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Schlagworte
Schlagwörter
- SPECTRAL QUANTIZATION, TRANSITION-STATE, PATH INTEGRATION, PROPAGATION, DYNAMICS, APPROXIMATION, SCATTERING, MODEL