Multiconfigurational pseudo-Hartree approach for the (t,t{sup '}) propagator of a molecule in short laser fields
Journal Article
·
· Physical Review. A
- Instituto de Estructura de la Materia, CSIC, Serrano 121, 28006 Madrid (Spain)
A method to study the rotational dynamics of a molecule interacting with a single short laser pulse or a train of pulses is proposed. The method is based on the observation that for such pulses the time propagator, in the (t,t{sup '}) formalism, can be expressed as a function of approximate Floquet states given by eigenstates of the one-period time-averaged rotational Hamiltonian multiplied by appropriate Fourier functions for the t{sup '} coordinate. Each zeroth-order eigenstate can be improved by diagonalizing a small configuration-interaction matrix formed from virtual Hartree-type wave functions. The resulting approximate propagators are more efficient than the usual sudden propagator as they allow one to obtain, in a single step, the propagated wave function at the end of the last pulse of a pulse train.
- OSTI ID:
- 20646309
- Journal Information:
- Physical Review. A, Journal Name: Physical Review. A Journal Issue: 5 Vol. 70; ISSN 1050-2947; ISSN PLRAAN
- Country of Publication:
- United States
- Language:
- English
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