Recent progress in symplectic algorithms for use in quantum systems

Xue Shen Liu*, Yue Ying Qi, Jian Feng He, Pei Zhu Ding

*Corresponding author for this work

Research output: Contribution to journalReview articlepeer-review

63 Citations (Scopus)

Abstract

In this paper we survey recent progress in symplectic algorithms for use in quantum systems in the following topics: Symplectic schemes for solving Hamiltonian systems; Classical trajectories of diatomic systems, model molecule A2B, Hydrogen ion H2+ and elementary atmospheric reaction N(4S) + O2 (X3g -)→NO(X2Π)+O(3P) calculated by means of Runge-Kutta methods and symplectic methods; the classical dissociation of the HF molecule and classical dynamics of H2+ in an intense laser field; the symplectic form and symplectic-scheme shooting method for the time-independent Schrödinger equation; the computation of continuum eigenfunction of the Schrödinger equation; asymptotic boundary conditions for solving the time-dependent Schrödinger equation of an atom in an intense laser field; symplectic discretization based on asymptotic boundary condition and the numerical eigenfunction expansion; and applications in computing multi-photon ionization, above-threshold ionization, Rabbi oscillation and high-order harmonic generation of laser-atom interaction.

Original languageEnglish
Pages (from-to)1-53
Number of pages53
JournalCommunications in Computational Physics
Volume2
Issue number1
Publication statusPublished - Feb 2007

Keywords

  • Classical trajectory
  • Intense laser field
  • Quantum system
  • Schrödinger equation
  • Symplectic algorithm

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