Time-dependent wavepacket methods for the calculation of collinear atom-diatom exchange reaction probabilities

DOI10.1016/0010-4655(91)90250-OzbMath0850.65338OpenAlexW2028865477MaRDI QIDQ1911677

Yanyan Li

Publication date: 17 July 1996

Published in: Computer Physics Communications (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0010-4655(91)90250-o

zbMATH Keywords

Schrödinger equationcollinear atom-diatom exchange reaction probabilitiestime-dependent wavepacket methods

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) NLS equations (nonlinear Schrödinger equations) (35Q55) PDEs in connection with quantum mechanics (35Q40) Applications to the sciences (65Z05)

Cites Work

• A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
• Stability analysis of finite difference schemes for quantum mechanical equations of motion
• Absorbing boundaries for wave propagation problems
• Solution of the Schrödinger equation by a spectral method
• On the Solution of the Schroedinger and the Klein-Gordon Equations by Digital Computers
• An Algorithm for the Machine Calculation of Complex Fourier Series

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