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 (5)

• Spatio-temporal isolation of attosecond soft X-ray pulses in the water window
• Decoherence in Attosecond Photoionization
• 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