November 3, 2023
Author(s)
Luca Argenti, Juan Martin Randazzo, carlos maranthe, Jeppe Olsen, Siddhartha Chattopadhyay, Barry I. Schneider
We describe ASTRA (AttoSecond TRAnsitions), a new close-coupling approach to molecular ionization that uses many-body transition density matrices between ionic states with arbitrary spin and symmetry, in combination with hybrid integrals between Gaussian