English
 
Help Privacy Policy Disclaimer
  Advanced SearchBrowse

Item

ITEM ACTIONSEXPORT

Released

Journal Article

Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT

MPS-Authors
/persons/resource/persons22028

Rubio,  Angel
Nano-Bio Spectroscopy Group and ETSF, Universidad del País Vasco, CFM CSIC-UPV/EHU, 20018 San Sebastián, Spain;
Theory Group, Theory Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;
Center for Free-Electron Laser Science, Luruper Chaussee 149, 22761 Hamburg, Germany;

External Resource
Fulltext (restricted access)
There are currently no full texts shared for your IP range.
Fulltext (public)

1608.02818.pdf
(Preprint), 3MB

Supplementary Material (public)
There is no public supplementary material available
Citation

Wopperer, P., De Giovannini, U., & Rubio, A. (2017). Efficient and accurate modeling of electron photoemission in nanostructures with TDDFT. European Physical Journal B, 90(3): 51. doi:10.1140/epjb/e2017-70548-3.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002B-21BB-6
Abstract
We derive and extend the time-dependent surface-flux method introduced in [L. Tao, A. Scrinzi, New J. Phys. 14, 013021 (2012)] within a time-dependent density-functional theory (TDDFT) formalism and use it to calculate photoelectron spectra and angular distributions of atoms and molecules when excited by laser pulses. We present other, existing computational TDDFT methods that are suitable for the calculation of electron emission in compact spatial regions, and compare their results. We illustrate the performance of the new method by simulating strong-field ionization of C60 fullerene and discuss final state effects in the orbital reconstruction of planar organic molecules.