Molecular effects in the ionization of N-2, O-2, and F-2 by intense laser fields

Daniel Dundas, J- Rost

Research output: Contribution to journalArticlepeer-review

31 Citations (Scopus)


In this paper we study the response in time of N2, O2, and F2 to laser pulses having a wavelength of 390 nm. We find single-ionization suppression in O2 and its absence in F2, in accordance with experimental results at lambda= 800 nm. Within our framework of time-dependent density functional theory we are able to explain deviations from the predictions of intense-field many-body S-matrix theory (IMST). We confirm the connection of ionization suppression with destructive interference of outgoing electron waves from the ionized electron orbital. However, the prediction of ionization suppression, justified within the IMST approach through the symmetry of the highest occupied molecular orbital (HOMO), is not reliable since it turns out that—e.g., in the case of F2—the electronic response to the laser pulse is rather complicated and does not lead to dominant depletion of the HOMO. Therefore, the symmetry of the HOMO is not sufficient to predict ionization suppression. However, at least for F2, the symmetry of the dominantly ionized orbital is consistent with the nonsuppression of ionization.
Original languageEnglish
Article number013421
Pages (from-to)013421-1-013421-8
Number of pages8
JournalPhysical Review A
Issue number1
Publication statusPublished - 01 Jan 2005

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics
  • General Physics and Astronomy


Dive into the research topics of 'Molecular effects in the ionization of N-2, O-2, and F-2 by intense laser fields'. Together they form a unique fingerprint.

Cite this