Non-adiabatic transitions near avoided crossings: theory and numerics

DOI10.1007/S10910-011-9827-2zbMath1244.92061OpenAlexW2079067773MaRDI QIDQ431983

George A. Hagedorn, Vasile Gradinaru, Raoul Bourquin

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/s10910-011-9827-2

zbMATH Keywords

avoided crossingsBorn-Oppenheimer approximationsnon-adiabatic transitions

Mathematics Subject Classification ID

Chemistry (92E99) Probabilistic models, generic numerical methods in probability and statistics (65C20) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Related Items (2)

Computing quantum dynamics in the semiclassical regime ⋮ Introduction to First-Principle Simulation of Molecular Systems

Cites Work

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• On the Born-Oppenheimer expansion for polyatomic molecules
• Raising and lowering operators for semiclassical wave packets
• Determination of non-adiabatic scattering wave functions in a Born-Oppenheimer model
• Exponentially accurate semiclassical tunneling wavefunctions in one dimension
• Nonadiabatic Transitions Through Tilted Avoided Crossings
• Superadiabatic transitions in quantum molecular dynamics
• Computing Semiclassical Quantum Dynamics with Hagedorn Wavepackets
• Molecular propagation through electron energy level crossings
• Classification and normal forms for avoided crossings of quantum-mechanical energy levels

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