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J Chem Phys. 2007 Mar 28;126(12):124310.

Single-active-electron ionization of C60 in intense laser pulses to high charge states.

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Institut für Physikalische Chemie und Elektrochemie, Technische Universität Dresden, D-01062 Dresden, Germany.


Sequential ionization of the C(60) fullerene to high charge states in ultrashort intense laser pulses is investigated within the strong-field S-matrix approach. Ion yields are calculated and saturation intensities are determined for a broad range of laser wavelengths between 395 and 1800 nm at different pulse lengths. Comparisons of the S-matrix predictions for the saturation intensities with recent experimental data are in an overall satisfactory agreement, indicating that saturation of ionization of this complex molecule can be well described using the single-active-electron approach. The analysis of the results shows that the contributions from the h(u)-highest occupied molecular orbital to the ion yields dominate as compared to those from the inner valence shells h(g) and g(g). Finally, it is demonstrated that the suppression of ionization of C(60) and its ions, as observed in experiments, can be interpreted within the present theory as due to the finite cage size of the fullerenes and a multi-slit-like interference effect between partial waves emitted from the different nuclei of the fullerenes.


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