Ultraintense, ultrashort pulse X-ray scattering in small molecules

We examine X-ray scattering from an isolated organic molecule from the linear to nonlinear absorptive regime. In the nonlinear regime, we explore the importance of both the coherent and incoherent channels and observe the onset of nonlinear behavior as a function of pulse duration and energy. In the linear regime, we test the sensitivity of the scattering signal to molecular bonding and electronic correlation via calculations using the independent atom model (IAM), Hartree-Fock (HF) and density functional theory (DFT). Finally, we describe how coherent X-ray scattering can be used to directly visualize femtosecond charge transfer and dissociation within a single molecule undergoing X-ray multiphoton absorption.

Automated summary

The study highlights the importance of both coherent and incoherent channels in the nonlinear absorptive regime, showing the onset of nonlinear behavior with varying pulse duration and energy. In the linear regime, sensitivity of the scattering signal to molecular bonding and electronic correlation was tested using IAM, HF, and DFT calculations. Additionally, coherent X-ray scattering was shown to provide direct visualization of femtosecond charge transfer and dissociation within a single molecule undergoing X-ray multiphoton absorption.