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

Journal Article · Sat Sep 15 00:00:00 EDT 2007 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.76.033402· OSTI ID:21020534

Nikolopoulos, L A. A.; Kjeldsen, T K; Madsen, L B ^[1]

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1. Lundbeck Foundation Theoretical Center for Quantum System Research, Department of Physics and Astronomy, University of Aarhus, 8000 Aarhus C (Denmark)

We present a theoretical framework for the electronic dynamics of arbitrarily oriented molecular hydrogen in strong and short electromagnetic fields. The ground state of H{sub 2} is obtained by propagating the time-dependent Schroedinger equation in imaginary time by assuming the Hartree-Fock ansatz for the interaction between the electrons. The interaction of H{sub 2} 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.

• OSTI ID: 21020534
• Journal Information: Physical Review. A, Vol. 76, Issue 3; Other Information: DOI: 10.1103/PhysRevA.76.033402; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ANGULAR DISTRIBUTION
ELECTROMAGNETIC FIELDS
ELECTRONS
GROUND STATES
HARTREE-FOCK METHOD
HYDROGEN
INTERACTIONS
LIGHT SOURCES
MOLECULES
MULTI-PHOTON PROCESSES
PHOTOIONIZATION
POTENTIALS
SCHROEDINGER EQUATION
SPHERICAL HARMONICS
THREE-DIMENSIONAL CALCULATIONS
TIME DEPENDENCE
WAVE FUNCTIONS