Basics of surface hopping in mixed quantum/classical simulations

DOI10.1006/jcph.1999.6287zbMath0986.81519OpenAlexW2026337685MaRDI QIDQ1819024

Karen Drukker

Publication date: 2 June 2002

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1999.6287

zbMATH Keywords

simulationsurface hoppingEhrenfest approachmulti-configurational approach

Mathematics Subject Classification ID

Research exposition (monographs, survey articles) pertaining to quantum theory (81-02) Computational methods for problems pertaining to quantum theory (81-08) Molecular physics (81V55)

Related Items

Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics ⋮ Asymptotic-preserving schemes for multiscale physical problems ⋮ An Efficient Time-splitting Method for the Ehrenfest Dynamics ⋮ The Landau-Zener Transition and the Surface Hopping Method for the 2D Dirac Equation for Graphene ⋮ On the classical limit of a time-dependent self-consistent field system: analysis and computation ⋮ Mathematical and computational methods for semiclassical Schrödinger equations

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