Propagation through Generic Level Crossings: A Surface Hopping Semigroup

DOI10.1137/070686810MaRDI QIDQ3609039zbMATH OpenOpenAlexFDO

Authors Clotilde Fermanian-Kammerer, Caroline Lasser

Publication date 6 March 2009

Published in SIAM Journal on Mathematical Analysis (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1137/070686810

zbMATH Keywords

eigenvalue crossingmicrolocal normal formsurface hoppingtime-dependent Schrödinger system

Mathematics Subject Classification ID

NLS equations (nonlinear Schrödinger equations) (35Q55) Asymptotic approximations, asymptotic expansions (steepest descent, etc.) (41A60) Perturbations of PDEs on manifolds; asymptotics (58J37) Molecular physics (81V55)

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Cited in

(23)

• Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
• A kinetic model for the transport of electrons in a graphene layer
• Wavepackets in inhomogeneous periodic media: propagation through a one-dimensional band crossing
• Adiabatic and non-adiabatic evolution of wave packets and applications to initial value representations
• Quantum evolution and sub-Laplacian operators on groups of Heisenberg type
• Effective mass theorems with Bloch modes crossings
• A study of energy band rearrangement in isolated molecules by means of the Dirac oscillator approximation
• Observability and controllability for the Schrödinger equation on quotients of groups of Heisenberg type
• An Egorov theorem for avoided crossings of eigenvalue surfaces
• Wigner measure propagation and conical singularity for general initial data
• Propagation of semiclassical wave packets through avoided eigenvalue crossings in nonlinear Schrödinger equations
• An Eulerian surface hopping method for the Schrödinger equation with conical crossings
• A nonlinear Landau-Zener formula
• Single switch surface hopping for molecular quantum dynamics
• Approximate controllability via adiabatic techniques for the three-inputs controlled Schrödinger equation
• A diabatic surface hopping algorithm based on time dependent perturbation theory and semiclassical analysis
• Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: a mathematical justification of fewest switches surface hopping algorithms
• The Landau-Zener transition and the surface hopping method for the 2D Dirac equation for graphene
• Nonadiabatic transitions in multiple dimensions
• Propagation through conical crossings: An asymptotic semigroup
• Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics
• Computing quantum dynamics in the semiclassical regime
• Propagation of coherent states through conical intersections

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