Electron-nuclear correlations in mixed quantum-classical calculations of laser-induced ionization and dissociation

Research output: Contribution to journalResearch articleContributedpeer-review

Contributors

  • TUD Dresden University of Technology

Abstract

Mixed quantum-classical methods, in which the electronic system is described quantum mechanically and the nuclear system classically, allow an efficient theoretical description of molecular systems in intense laser fields. In standard mean field approaches, the missing correlation between the nuclear and the electronic system may lead to a source of error, however. Here, we present an approximate treatment of this correlation for strongly perturbed single electron systems. The performance of the methodology is demonstrated by the qualitative reproduction of full quantum results for the ionization as well as the dissociation probability of the H-2(+) molecule interacting with an intense laser field. (C) 2006 Elsevier B.V. All rights reserved.

Details

Original languageEnglish
Pages (from-to)417-420
Number of pages4
JournalPhysics letters a
Volume364
Issue number5
Publication statusPublished - 7 May 2007
Peer-reviewedYes

External IDs

Scopus 33947420384

Keywords

Keywords

  • WAVE-PACKET DYNAMICS, MOLECULAR-DYNAMICS, RARE-GASES, FIELDS, H-2(+), TRANSITIONS, RADIATION, IONS