Assessment of Time-dependent Unrestricted Hartree-Fock Method for Electron Dynamics in Intense Laser Fields

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概要

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• Time-dependent restricted and unrestricted Hartree-Fock (TD-RHF and TD-UHF) methods are comparatively assessed for the description of the electron dynamics in intense laser fields. These methods are applied to the one-dimensional H2 molecule exposed to an intense laser field, and compared to the results from the time-dependent Schrödinger (TDSE) equation. Around the equilibrium interatomic distance, where the initial RHF and UHF wavefunctions coincide, TD-UHF keeps an initial closed-shell, thus underestimates large amplitude electron motions. At a longer interatomic distance, where the UHF wavefunction differs from the RHF one, TD-UHF better reprodeces the TDSE result than TD-RHF does.

• 2012-08-01

著者

• Sato Takeshi

  Photon Science Center School Of Engineering University Of Tokyo

• Ishikawa Kenichi

  Photon Science Center Graduate School Of Engineering The University Of Tokyo

• ISHIKAWA Kenichi

  Photon Science Center, School of Engineering, University of Tokyo

関連論文

• Isolated Attosecond Pulse Generation by Direct Optimization of Two-Color Laser Fields Using the Genetic Algorithm
• Assessment of Time-dependent Unrestricted Hartree-Fock Method for Electron Dynamics in Intense Laser Fields

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