Extraction of eigenstates from an optically prepared state by a time-dependent quantum-mechanical method. Toward simulation of "intermediate case" radiationless transitions

H. Kono

Research output: Contribution to journalArticle

56 Citations (Scopus)

Abstract

We provide a method to simulate "intermediate case" radiationless transitions for given potentials. The main step is to extract eigenfunctions from an optically prepared state at a time just after the pump pulse has decayed. We generate Lanczos vectors, from the prepared state, with an energy-filtered Hamiltonian and diagonalize the unfiltered Hamiltonian. Preliminary calculations are performed. For a system of two vibrational degrees of freedom, an accuracy of 10-5 cm-1 can easily be obtained: the long time dynamics up to ≈ 1 μs is within reach.

Original languageEnglish
Pages (from-to)137-143
Number of pages7
JournalChemical Physics Letters
Volume214
Issue number2
DOIs
Publication statusPublished - 1993 Oct 29

ASJC Scopus subject areas

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

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