Time-dependent semiclassical calculation of resonance lifetimes

Publikation: Beitrag in FachzeitschriftForschungsartikelBeigetragenBegutachtung

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

OriginalspracheEnglisch
Seiten (von - bis)470-476
Seitenumfang7
FachzeitschriftChemical physics letters
Jahrgang262
Ausgabenummer3-4
PublikationsstatusVeröffentlicht - 15 Nov. 1996
Peer-Review-StatusJa

Externe IDs

Scopus 0030588866

Schlagworte

Schlagwörter

  • SPECTRAL QUANTIZATION, TRANSITION-STATE, PATH INTEGRATION, PROPAGATION, DYNAMICS, APPROXIMATION, SCATTERING, MODEL