Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory
Abstract
We present a time-dependent density-functional method able to describe the photoelectron spectrum of atoms and molecules when excited by laser pulses. This computationally feasible scheme is based on a geometrical partitioning that efficiently gives access to photoelectron spectroscopy in time-dependent density-functional calculations. By using a geometrical approach, we provide a simple description of momentum-resolved photoe- mission including multi-photon effects. The approach is validated by comparison with results in the literature and exact calculations. Furthermore, we present numerical photoelectron angular distributions for randomly oriented nitrogen molecules in a short near infrared intense laser pulse and helium-(I) angular spectra for aligned carbon monoxide and benzene.
Cite
@article{arxiv.1206.6031,
title = {Ab-initio angle and energy resolved photoelectron spectroscopy with time-dependent density-functional theory},
author = {U. De Giovannini and D. Varsano and M. A. L. Marques and H. Appel and E. K. U. Gross and A. Rubio},
journal= {arXiv preprint arXiv:1206.6031},
year = {2012}
}
Comments
Accepted for publication on Phys. Rev. A