Exact two-electron wave packet dynamics of H2 in an intense laser field: Formation of localized ionic states H+H-

Kenji Harumiya, Isao Kawata, Hirohiko Kono, Yuichi Fujimura

Research output: Contribution to journalArticlepeer-review

76 Citations (Scopus)

Abstract

An efficient grid method that can accurately deal with two-electron systems was developed. Electron-electron repulsion is incorporated into the wave packet propagation scheme, without introducing any approximations. The positions of the two electrons are designed in terms of cylindrical coordinates (ρ1,z11) and (ρ2,z22). By using the dual transformation technique, the awkward attractive Coulomb potentials were treated and the numerical difficulties arising from their singular points were removed.

Original languageEnglish
Pages (from-to)8953-8960
Number of pages8
JournalJournal of Chemical Physics
Volume113
Issue number20
DOIs
Publication statusPublished - 2000 Nov

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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