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

• Sato Takeshi

  Photon Science Center, School of Engineering, University of Tokyo

• Ishikawa Kenichi L.

  Photon Science Center, School of Engineering, University of Tokyo

抄録

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.

収録刊行物

• 電気学会論文誌Ｃ（電子・情報・システム部門誌）

  電気学会論文誌Ｃ（電子・情報・システム部門誌） 132 (8), 1297-1298, 2012

  一般社団法人 電気学会

キーワード

• Attosecond science
• strong-field ionization
• electron dynamics

詳細情報

• CRID: 1390001204607873408
• NII論文ID: 10030937253
• NII書誌ID: AN10065950
• DOI: 10.1541/ieejeiss.132.1297
• BIBCODE: 2012ITEIS.132.1297S
• ISSN: 13488155
• ISSN: 03854221
• Web Site: https://www.jstage.jst.go.jp/article/ieejeiss/132/8/132_1297/_pdf
• 本文言語コード: en
• データソース種別:
  • JaLC
  • Crossref
  • CiNii Articles
• 抄録ライセンスフラグ: 使用不可