Multiple orbital contribution in multiphoton ionization of H₂O in intense ultrafast laser fields

Sang-Kil Son and Shih-I Chu

[BibTeX][pdf][slide: 2Mb]http://jrm.phys.ksu.edu/Atto-09/

We present all-electron time-dependent density-functional theory (TDDFT) investigation of multiphoton ionization (MPI) of H₂O in intense ultrafast linearly-polarzied laser pulses with arbitrary molecular orientation. A new time-dependnet Voronoi-cell finite difference method featuring highly adaptive molecular grids and an efficient time propagator is applied for accurate TDDFT solutions, taking into account the detailed electronic structure and responses in multiple orbital dynamics. Our results demonstrate that the inner orbital dominantly contributes to the overall orientation dependence of H₂O MPI.

Tags: VFD, TDVFD, Voronoi, attosecond, strong-field, TDDFT, MPI, H2O, KU

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