• Time-dependent Fourier grid Hamiltonian method for modelling real-time quantum dynamics: Theoretical models and applications

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      https://www.ias.ac.in/article/fulltext/jcsc/106/02/0553-0568

    • Keywords

       

      Quantum dynamics; time-dependent Fourier grid Hamiltonian method; real-time modelling; theoretical models

    • Abstract

       

      A local grid method for modelling real-time quantum dynamical events is formulated. The formulation is straightforward for 1-D systems. For more than one dimension, appeal has to be made to mean-field approximation of the appropriate kind. The simplest mean-field model results in time-dependent Hartree-Fourier grid method. The relationship of the proposed method with some other methods available in the literature is examined. A few examples of numerical applications dealing with (i) the dynamics of dissociation and ionization processes in diatoms and atoms respectively and (ii) tunnelling dynamics in the intramolecular H-atom transfer phenomenon are presented.

    • Author Affiliations

       

      Satrajit Adhikari1 S P Bhattacharyya1

      1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, Calcutta - 700032, India
    • Dates

       
  • Journal of Chemical Sciences | News

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