Time-dependent semiclassical calculation of resonance lifetimes

✍ Scribed by Frank Grossmann

• Publisher: Elsevier Science
• Year: 1996
• Tongue: English
• Weight: 489 KB
• Volume: 262
• Category: Article
• ISSN: 0009-2614
• DOI: 10.1016/0009-2614(96)01110-4

✦ Synopsis

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 + H2 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.