Literature DB >> 21280676

Communication: An exact short-time solver for the time-dependent Schrödinger equation.

Zhigang Sun1, Weitao Yang.   

Abstract

The short-time integrator for propagating the time-dependent Schrödinger equation, which is exact to machine's round off accuracy when the Hamiltonian of the system is time-independent, was applied to solve dynamics processes. This integrator has the old Cayley's form [i.e., the Padé (1,1) approximation], but is implemented in a spectrally transformed Hamiltonian which was first introduced by Chen and Guo. Two examples are presented for illustration, including calculations of the collision energy-dependent probability passing over a barrier, and interaction process between pulse laser and the I(2) diatomic molecule.

Mesh:

Year:  2011        PMID: 21280676      PMCID: PMC3045215          DOI: 10.1063/1.3549570

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  4 in total

1.  Propagators for the time-dependent Kohn-Sham equations.

Authors:  Alberto Castro; Miguel A L Marques; Angel Rubio
Journal:  J Chem Phys       Date:  2004-08-22       Impact factor: 3.488

2.  Nonlinear light scattering accompanying multiphoton ionization.

Authors: 
Journal:  Phys Rev Lett       Date:  1989-02-20       Impact factor: 9.161

3.  Sixth-order factorization of the evolution operator for time-dependent potentials.

Authors:  G Goldstein; D Baye
Journal:  Phys Rev E Stat Nonlin Soft Matter Phys       Date:  2004-11-15

4.  Molecular spectroscopy: some personal reminiscences.

Authors:  D A Ramsay
Journal:  Annu Rev Phys Chem       Date:  1994       Impact factor: 12.703

  4 in total

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