F. Agostini

Electron dynamics simulation of photoionization of N2 using Gaussian basis sets optimized for the continuum.

We explore the capability of real-time time-dependent auxiliary density functional theory (RT-TD-ADFT) to capture photoionization of the nitrogen molecule when employed in combination with atomic Gaussian basis sets optimized for the continuum (AOC). The molecule is ionized by an ultrashort laser pulse in the near- and...