Published November 24, 2011 | Version v1
Journal article

Strong-field ionization of Li and Be: a time-dependent density functional theory with self-interaction correction

  • 1. Center for Quantum Science and Engineering, and Department of Physics, National Taiwan University, Taipei 10617, Taiwan (China)
  • 2. Department of Physics, St. Petersburg State University, St. Petersburg 198504 (Russian Federation)
  • 3. Department of Chemistry, University of Kansas, Lawrence, Kansas 66045 (United States)

Description

Highlights: ► Multiphoton ionization is calculated by time-dependent density functional theory. ►Exchange-correlation potential is built by time-dependent Krieger-Li-Iafrate method. ► Integer discontinuity of the potential improves description of ionization. ► Probabilities of single ionization of Li and double ionization of Be are presented. - Abstract: In the framework of the time-dependent density functional theory, we have performed 3D calculations of multiphoton ionization of Li and Be atoms by strong near-infrared laser fields. The results for the intensity-dependent probabilities of single and double ionization are presented. We make use of the time-dependent Krieger-Li-Iafrate exchange-correlation potential with self-interaction correction (TD-KLI-SIC). Such a potential possesses an integer discontinuity which improves description of the ionization process. However, we have found that the discontinuity of the TD-KLI-SIC potential is not sufficient to reproduce characteristic feature of double ionization.

Availability note (English)

Available from http://dx.doi.org/10.1016/j.chemphys.2011.03.023

Additional details

Identifiers

DOI
10.1016/j.chemphys.2011.03.023;
PII
S0301-0104(11)00099-1;

Publishing Information

Journal Title
Chemical Physics
Journal Volume
391
Journal Issue
1
Journal Page Range
p. 88-91
ISSN
0301-0104
CODEN
CMPHC2

INIS

Country of Publication
Netherlands
Country of Input or Organization
International Atomic Energy Agency (IAEA)
INIS RN
44013207
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
BERYLLIUM; CORRELATIONS; DENSITY FUNCTIONAL METHOD; INTERACTIONS; LASER RADIATION; LITHIUM; PHOTOIONIZATION; PROBABILITY; TIME DEPENDENCE
Descriptors DEC
ALKALI METALS; ALKALINE EARTH METALS; CALCULATION METHODS; ELECTROMAGNETIC RADIATION; ELEMENTS; IONIZATION; METALS; RADIATIONS; VARIATIONAL METHODS

Optional Information

Copyright
Copyright (c) 2011 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.