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

カテゴリ: 論文誌(論文単位)

グループ名: 【C】電子・情報・システム部門

発行日: 2012/08/01

タイトル(英語): Assessment of Time-dependent Unrestricted Hartree-Fock Method for Electron Dynamics in Intense Laser Fields

著者名: Takeshi Sato (Photon Science Center, School of Engineering, University of Tokyo), Kenichi L. Ishikawa (Photon Science Center, School of Engineering, University of Tokyo)

著者名(英語): Takeshi Sato (Photon Science Center, School of Engineering, University of Tokyo), Kenichi L. Ishikawa (Photon Science Center, School of Engineering, University of Tokyo)

キーワード: Attosecond science，strong-field ionization，electron dynamics

要約(英語): 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 Schrodinger (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.

本誌: 電気学会論文誌C（電子・情報・システム部門誌） Vol.132 No.8 （2012） 特集：光・量子ビームによるナノダイナミクス

本誌掲載ページ: 1297-1298 p

原稿種別: 研究開発レター／英語

電子版へのリンク: https://www.jstage.jst.go.jp/article/ieejeiss/132/8/132_1297/_article/-char/ja/