Single switch surface hopping for molecular quantum dynamics
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Publication:431973
DOI10.1007/S10910-011-9816-5zbMATH Open1251.81102OpenAlexW1991262684MaRDI QIDQ431973FDOQ431973
Authors: Clotilde Fermanian-Kammerer, Caroline Lasser 
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
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Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55)
Cites Work
- Mesures semi-classiques et croisement de modes
- Twisted pseudodifferential calculus and application to the quantum evolution of molecules
- The level crossing problem in semi-classical analysis. I: The symmetric class.
- A Landau-Zener formula for non-degenerated involutive codimension 3 crossings
- Propagation through Generic Level Crossings: A Surface Hopping Semigroup
- Molecular propagation through electron energy level crossings
- Monte Carlo sampling of Wigner functions and surface hopping quantum dynamics
- On the automation of digital computer design
- Title not available (Why is that?)
- MOLECULAR PROPAGATION THROUGH SMALL AVOIDED CROSSINGS OF ELECTRON ENERGY LEVELS
- An algorithm for quantum propagation through electron level crossings
- Normal forms for conical intersections in quantum chemistry
- Title not available (Why is that?)
- Propagation through conical crossings: An asymptotic semigroup
- Degenerated codimension 1 crossings and resolvent estimates
- Adiabatic decoupling and time-dependent Born-Oppenheimer theory
- Semi-classical analysis of a conjoint crossing of three symmetric modes
Cited In (6)
- A kinetic model for the transport of electrons in a graphene layer
- Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: a mathematical justification of fewest switches surface hopping algorithms
- Basics of surface hopping in mixed quantum/classical simulations
- Observable Error Bounds of the Time-Splitting Scheme for Quantum-Classical Molecular Dynamics
- An Egorov theorem for avoided crossings of eigenvalue surfaces
- Propagation of coherent states through conical intersections
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