Time-dependent semiclassical calculation of resonance lifetimes
Research output: Contribution to journal › Research article › Contributed › peer-review
Contributors
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 language | English |
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Pages (from-to) | 470-476 |
Number of pages | 7 |
Journal | Chemical physics letters |
Volume | 262 |
Issue number | 3-4 |
Publication status | Published - 15 Nov 1996 |
Peer-reviewed | Yes |
External IDs
Scopus | 0030588866 |
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Keywords
Keywords
- SPECTRAL QUANTIZATION, TRANSITION-STATE, PATH INTEGRATION, PROPAGATION, DYNAMICS, APPROXIMATION, SCATTERING, MODEL