Ultraintense, ultrashort pulse x-ray scattering in small molecules
arXiv:2009.08870 · doi:10.1039/D0FD00106F
Abstract
We examine x-ray scattering from an isolated organic molecule from the linear to nonlinear absorptiveregime. In the nonlinear regime, we explore the importance of both the elastic and inelastic channelsand observe the onset of nonlinear behavior as a function of pulse duration and energy. In the linearregime, we test the sensitivity of the scattering signal to molecular bonding and electronic correlationvia calculations using the independent atom model (IAM), Hartree-Fock (HF) and density functionaltheory (DFT). Finally, we describe how coherent x-ray scattering can be used to directly visualizefemtosecond charge transfer and dissociation within a single molecule undergoing x-ray multiphotonabsorption.
References in corpus (16)
- Tunable Isolated Attosecond X-ray Pulses with Gigawatt Peak Power from a Free-Electron Laser
- Imaging electronic quantum motion with light
- Deep inner-shell multiphoton ionization by intense x-ray free-electron laser pulses
- Dynamics in a cluster under the influence of intense femtosecond hard x-ray pulses
- Biomolecular imaging and electronic damage using X-ray free-electron lasers
- ORBKIT - A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum Chemical Wavefunction Data
- Half or full core-hole in density functional theory X-ray absorption spectrum calculations of water?
- Ionization of clusters in strong X-ray laser pulses
- Impact of ultrafast electronic damage in single particle x-ray imaging experiments
- Modelling dynamics of samples exposed to free-electron-laser radiation with Boltzmann equations
- Efficient electronic structure calculation for molecular ionization dynamics at high x-ray intensity
- Probing the UV-Induced Photodissociation of CHI and CHFI with Femtosecond Time-Resolved Coulomb Explosion Imaging at FLASH
- Incoherent x-ray scattering in single molecule imaging
- Computational studies of x-ray scattering from three-dimensionally-aligned asymmetric-top molecules
- X-ray diffractive imaging of controlled gas-phase molecules: Toward imaging of dynamics in the molecular frame
- Theoretical study of electronic damage in single particle imaging experiments at XFELs for pulse durations 0.1 - 10 fs