Anisotropic molecular photoemission dynamics: Interpreting and accounting for the nuclear motion
Physical Review A(2024)
摘要
We investigate how vibration affects molecular photoemission dynamics,
through simulations on two-dimension asymmetric model molecules including the
electronic and nuclear motions in a fully correlated way. We show that a slight
anisotropy in the electron-ion momentum sharing is sufficient to prevent one
from unambigously characterizing the vibrationnaly averaged photoemission
dynamics in terms of stereo Wigner delays. We further show that vibrational
resolution can be retrieved in fixed-nuclei simulations, using effective
molecular conformations that are specific to each vibrational channel. The
optimal internuclear distances found empirically in 1-photon processes can be
identified a priori using simple physical arguments. They also turn out to be
efficient to simulate vibrationnally-resolved measurements and to
account for interchannel coherences in broadband 1-photon ionization.
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