A discrete time-dependent method for metastable atoms and molecules in intense fields

Iting Peng, Jim McCann, Daniel Dundas, Kenneth Taylor, I.D. Williams

Research output: Contribution to journalArticlepeer-review

25 Citations (Scopus)

Abstract

The full-dimensional time-dependent Schrodinger equation for the electronic dynamics of single-electron systems in intense external fields is solved directly using a discrete method. Our approach combines the finite-difference and Lagrange mesh methods. The method is applied to calculate the quasienergies and ionization probabilities of atomic and molecular systems in intense static and dynamic electric fields. The gauge invariance and accuracy of the method is established. Applications to multiphoton ionization of positronium, the hydrogen atom and the hydrogen molecular ion are presented. At very high laser intensity, above the saturation threshold, we extend the method using a scaling technique to estimate the quasienergies of metastable states of the hydrogen molecular ion. The results are in good agreement with recent experiments. (C) 2004 American Institute of Physics.
Original languageEnglish
Pages (from-to)10046-10055
Number of pages10
JournalJournal of Chemical Physics
Volume120
Issue number21
DOIs
Publication statusPublished - 01 Jun 2004

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

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