Time-dependent semiclassical calculation of resonance lifetimes

Research output: Contribution to journalResearch articleContributedpeer-review

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

Original languageEnglish
Pages (from-to)470-476
Number of pages7
JournalChemical physics letters
Volume262
Issue number3-4
Publication statusPublished - 15 Nov 1996
Peer-reviewedYes

External IDs

Scopus 0030588866

Keywords

Keywords

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