Non-adiabatic transitions near avoided crossings: theory and numerics

DOI10.1007/S10910-011-9827-2MaRDI QIDQ431983zbMATH OpenOpenAlexFDO

Authors Raoul Bourquin, Vasile Gradinaru, George A. Hagedorn

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

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

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Cites work

• scientific article; zbMATH DE number 1156200 (Why is no real title available?)
• scientific article; zbMATH DE number 1161956 (Why is no real title available?)
• scientific article; zbMATH DE number 2135382 (Why is no real title available?)
• Classification and normal forms for avoided crossings of quantum-mechanical energy levels
• Computing Semiclassical Quantum Dynamics with Hagedorn Wavepackets
• Determination of non-adiabatic scattering wave functions in a Born-Oppenheimer model
• Exponentially accurate semiclassical tunneling wavefunctions in one dimension
• Molecular propagation through electron energy level crossings
• Nonadiabatic transitions through tilted avoided crossings
• On the Born-Oppenheimer expansion for polyatomic molecules
• Raising and lowering operators for semiclassical wave packets
• Superadiabatic transitions in quantum molecular dynamics

Cited in

(12)

• Computing quantum dynamics in the semiclassical regime
• Nonadiabatic transitions through tilted avoided crossings
• Analytical calculation of nonadiabatic transition probabilities from the monodromy of differential equations
• Nonadiabatic transitions in multiple dimensions
• Determination of non-adiabatic scattering wave functions in a Born-Oppenheimer model
• Introduction to the theory of electronic non-adiabatic coupling terms in molecular systems
• scientific article; zbMATH DE number 5824006 (Why is no real title available?)
• Recent results on non-adiabatic transitions in quantum mechanics
• Beyond Born–Oppenheimer
• Introduction to first-principle simulation of molecular systems
• Superadiabatic transitions in quantum molecular dynamics
• scientific article; zbMATH DE number 1552587 (Why is no real title available?)

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