Three-dimensional time-dependent Hartree-Fock approach for arbitrarily oriented molecular hydrogen in strong electromagnetic fields

L. A. A. Nikolopoulos, T. K. Kjeldsen, and L. B. Madsen
Phys. Rev. A 76, 033402 – Published 4 September 2007

Abstract

We present a theoretical framework for the electronic dynamics of arbitrarily oriented molecular hydrogen in strong and short electromagnetic fields. The ground state of H2 is obtained by propagating the time-dependent Schrödinger equation in imaginary time by assuming the Hartree-Fock ansatz for the interaction between the electrons. The interaction of H2 with the radiation field is considered in the single-active-electron approximation, with the continuum electron subject to Hartree-Fock radial potentials. We propagate the wave function by a split-operator scheme projected on a spherical harmonics basis. Alignment-dependent yields and angular distributions for one- and two-photon ionization induced by an external femtosecond light source are presented and compared with available theoretical results.

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  • Received 17 April 2007

DOI:https://doi.org/10.1103/PhysRevA.76.033402

©2007 American Physical Society

Authors & Affiliations

L. A. A. Nikolopoulos*, T. K. Kjeldsen, and L. B. Madsen

  • Lundbeck Foundation Theoretical Center for Quantum System Research, Department of Physics and Astronomy, University of Aarhus, 8000 Aarhus C, Denmark

  • *Present address: Department of Applied Mathematics and Theoretical Physics, The Queen’s University of Belfast, BT7 1NN Belfast, UK.

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Vol. 76, Iss. 3 — September 2007

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