Simulation of quantum-classical dynamics by surface-hopping trajectories

MaRDI QIDQ5424420zbMATH OpenFDO

Authors Hyo-Joon Kim, Raymond Kapral

Publication date 5 November 2007

Mathematics Subject Classification ID

Dynamical systems in optimization and economics (37N40) Classical flows, reactions, etc. in chemistry (92E20)

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(5)

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• Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: a mathematical justification of fewest switches surface hopping algorithms
• scientific article; zbMATH DE number 745268 (Why is no real title available?)
• Simulating realistic and nonadiabatic chemical dynamics: application to photochemistry and electron transfer reactions

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