Angle-Resolved Core-Hole Photoemission Time Delays in Polyatomic Molecules

We present a theoretical study of angle-resolved photoemission time delays associated with K-shell ionization in polyatomic molecules. Using our time-dependent quantum-chemistry framework ATTOMESA, we compute core-level photoionization amplitudes and Wigner time delays within the static-exchange approximation, focusing on carbon and nitrogen K-shell ionization. We investigate how the photoemission time delay depends on the emission direction in the molecular frame, with particular emphasis on how the local chemical environment influences the temporal response of the outgoing electron. As representative systems, we consider CF₄ and acetonitrile, where emission toward different molecular sites provides a sensitive probe of short-range scattering and molecular geometry. Our results illustrate how angle-resolved core-hole time delays encode site-specific and directional information in polyatomic systems and provide a first-principles benchmark for attosecond measurements of molecular photoemission dynamics.