Abstract
A basis expansion of a quantum state of a molecule in a small orthogonal set of dynamically motivated, active bright states is presented and tested. The active bright states are derived from wavepackets (in a discrete variable representation) corresponding to different times in the time evolution of the molecule in a specified external laser field. Time evolution using the active bright-state representation is computationally less intensive and contains the essential dynamics in the quasiharmonic, quasicontinuum, and continuum regimes. Knowledge of the exact molecular spectroscopy is not needed. The active bright-state representation is thus well suited for optimal-control calculations which require a large number of wavepacket propagations.
Original language | English |
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Pages (from-to) | 161-167 |
Number of pages | 7 |
Journal | Chemical Physics Letters |
Volume | 239 |
Issue number | 1-3 |
DOIs | |
Publication status | Published - Jun 9 1995 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry