Single switch surface hopping for molecular quantum dynamics

DOI10.1007/s10910-011-9816-5zbMath1251.81102OpenAlexW1991262684MaRDI QIDQ431973

Caroline Lasser, Clotilde Fermanian-Kammerer

Publication date: 3 July 2012

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-011-9816-5

zbMATH Keywords

molecular dynamicssurface hoppingconical intersections

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)

Related Items (4)

An Egorov theorem for avoided crossings of eigenvalue surfaces ⋮ Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics ⋮ A kinetic model for the transport of electrons in a graphene layer ⋮ Propagation of coherent states through conical intersections

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