Time-dependent multiconfiguration theory for electronic dynamics of molecules in an intense laser field

Tsuyoshi Kato, Hirohiko Kono

Research output: Contribution to journalArticle

195 Citations (Scopus)

Abstract

A multiconfiguration theory for electronic dynamics of molecules in an intense laser field is developed based on the Dirac-Frenkel time-dependent variational principle. The equations of motion for spin-orbitals and configuration-interaction coefficients are explicitly given. Numerical calculations of electronic dynamics of a hydrogen molecule in an intense electronic field are performed as a practical application of the theory.

Original languageEnglish
Pages (from-to)533-540
Number of pages8
JournalChemical Physics Letters
Volume392
Issue number4-6
DOIs
Publication statusPublished - 2004 Jul 11

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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