Exponential integrators for quantum-classical molecular dynamics
DOI10.1023/A:1022335122807zbMATH Open0985.81002OpenAlexW1567419358MaRDI QIDQ1963909FDOQ1963909
Authors: Marlis Hochbruck, Christian Lubich 
Publication date: 3 February 2000
Published in: BIT (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1023/a:1022335122807
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quantum Hamiltonianmolecular dynamicshighly oscillatoryLanczos' methodtime-dependent Hamiltoniannonlinearly couplederror behaviourquantum-classical coupling
Numerical methods for Hamiltonian systems including symplectic integrators (65P10) Computational methods for problems pertaining to quantum theory (81-08) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)
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