We probe the dynamic localization in molecules interacting with high-intensity laser pulses. This is done utilizing time-dependent density functional theory (TDDFT). The primary molecule of focus will be N2+ and the resonant transition state between σu and σg orbitals. Changes in the total electron density, as well as the electron localization function (ELF), can be used as a visual indicator of where the electron is localized in the system throughout the pulse. These visualizations can also be used to further understand attosecond processes, such as high harmonic generation (HHG).

Visualizing electron localization for molecules in high-intensity laser pulses using TDDFT

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