Multiconfiguration time-dependent self-consistent field approximations in the numerical solution of quantum dynamical problems

DOI10.1016/0010-4655(91)90253-HMaRDI QIDQ1911686zbMATH OpenOpenAlexFDO

Authors Zvi Kotler, Eyal Neria, Abraham Nitzan

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)90253-h

zbMATH Keywords

harmonic oscillatorquantum curve crossing and tunneling dynamical problemssemiclassical wavepacketstime-dependent self-consistent field approximation

Mathematics Subject Classification ID

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

Cites work

• A Fourier method solution for the time dependent Schrödinger equation as a tool in molecular dynamics
• Solution of the Schrödinger equation by a spectral method

Cited in

(4)

• Basics of surface hopping in mixed quantum/classical simulations
• An Efficient Time-splitting Method for the Ehrenfest Dynamics
• Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics
• On the classical limit of a time-dependent self-consistent field system: analysis and computation

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