Theoretical study of strong-field multiphoton ionization of polyatomic molecules: a new time-dependent Voronoi-cell finite difference method
Sang-Kil Son
CFEL Seminar (CFEL, DESY, Hamburg, Germany, July 23, 2010) [oral presentation] [BibTeX][pdf][slide: 6Mb]http://www.cfel.de/
We present time-dependent density-functional theory (TDDFT) studies of multiphoton ionization (MPI) of several polyatomic molecules in intense short-pulse laser fields with proper treatment of multielectron effects.
For an accurate all-electron solution for polyatomic molecules, we develop a new time-dependent Voronoi-cell finite difference (TDVFD) method with highly adaptive multicenter molecular grids.
We apply the method to investigate the orientation dependence of MPI of N2, CO2, and H2O, revealing the importance of multielectron effects from multiple orbital dynamics. Tags: VFD,
TDVFD,
Voronoi,
strong-field,
TDDFT,
MPI,
N2,
CO2,
H2O,
KU
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