A time-dependent Schr\"odinger 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 Schr\"odinger equation, that is suitable for describing the induced electron and nuclear dynamics.
Keywords
Cite
@article{arxiv.1801.03091,
title = {A time-dependent Schr\"odinger equation for molecular core-hole dynamics},
author = {A. Picón},
journal= {arXiv preprint arXiv:1801.03091},
year = {2018}
}