A time-dependent Schrödinger equation for molecular core-hole dynamics

Abstract

X-ray spectroscopy is an important tool for the investigation of matter. X rays primarily interact with inner-shell electrons creating core (inner-shell) holes that will decay on the time scale of attoseconds to few femtoseconds through electron relaxations involving the emission of a photon or an electron. The advent of femtosecond x-ray pulses expands x-ray spectroscopy to the time domain and will eventually allow the control of core-hole population on timescales comparable to core-vacancy lifetimes. For both cases, a theoretical approach that accounts for the x-ray interaction while the electron relaxations occur is required. Here we describe a time-dependent framework, based on solving the time-dependent Schrödinger equation, that is suitable for describing the induced electron and nuclear dynamics.

References in corpus (8)

• Spatio-temporal isolation of attosecond soft X-ray pulses in the water window
• Generation of Bright Isolated Attosecond Soft X-Ray Pulses Driven by Multi-Cycle Mid-Infrared Lasers
• Decoherence in Attosecond Photoionization
• Strong-Field Many-Body Physics and the Giant Enhancement in the High-Harmonic Spectrum of Xenon
• Resonant Auger decay of the core-excited C${}^{\ast }$O molecule in intense X-ray laser fields
• Ultrafast x-ray-induced nuclear dynamics in diatomic molecules using femtosecond x-ray/x-ray pump-probe spectroscopy
• Optical control of resonant Auger processes
• Optically-dressed resonant Auger processes induced by high-intensity x rays

Cited by in corpus (6)

• A theoretical approach for electron dynamics and ultrafast spectroscopy
• X-ray induced electron and ion fragmentation dynamics in IBr
• Simulation of a Hydrogen Atom in Laser Field Using the Time-Dependent Variational Principle
• Auger-induced charge migration
• Resonant Double-Core Excitations with Ultrafast, Intense Pulses
• Comparison of Hartree-Fock and Hartree-Fock-Slater approximations for calculation of radiation damage dynamics of light and heavy atoms in the field of x-ray free electron laser