Laser-induced electron dynamics including photoionization : a heuristic model within time-dependent configuration interaction theory
- We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H-2 when calculated nonperturbatively by TD-CIS.
| Author details: | Stefan KlinkuschGND, Peter SaalfrankORCiDGND, Tillmann KlamrothORCiDGND |
|---|---|
| URL: | http://jcp.aip.org/ |
| DOI: | https://doi.org/10.1063/1.3218847 |
| ISSN: | 0021-9606 |
| Publication type: | Article |
| Language: | English |
| Year of first publication: | 2009 |
| Publication year: | 2009 |
| Release date: | 2017/03/25 |
| Source: | Journal of chemical physics. - ISSN 0021-9606. - 131 (2009), 11, Art. 114304 |
| Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
| Peer review: | Referiert |
