Time-dependent configuration-interaction calculations of laser-pulse-driven many-electron dynamics : Controlled dipole switching in lithium cyanide
- We report simulations of laser-driven many-electron dynamics by means of the time-dependent configuration interaction singles (doubles) approach. The method accounts for the correlation of ground and excited states, is capable of describing explicitly time-dependent, nonlinear phenomena, and is systematically improvable. Lithium cyanide serves as a molecular test system in which the charge distribution and hence the dipole moment are shown to be switchable, in a controlled fashion, by (a series of) laser pulses which induce selective, state-to-state electronic transitions. One focus of our time-dependent calculations is the question of how fast the transition from the ionic ground state to a specific excited state that is embedded in a multitude of other states can be made, without creating an electronic wave packet. (c) 2005 American Institute of Physics
Author details: | Pascal Krause, Tillmann KlamrothORCiDGND, Peter SaalfrankORCiDGND |
---|---|
ISSN: | 0021-9606 |
Publication type: | Article |
Language: | English |
Year of first publication: | 2005 |
Publication year: | 2005 |
Release date: | 2017/03/24 |
Source: | Journal of Chemical Physics. - ISSN 0021-9606. - 123 (2005), 7, S. 7 |
Organizational units: | Mathematisch-Naturwissenschaftliche Fakultät / Institut für Chemie |
Peer review: | Referiert |