Molecular propagation through electron energy level crossings
DOI10.1090/MEMO/0536zbMATH Open0833.92025OpenAlexW2047246226MaRDI QIDQ4309693FDOQ4309693
Authors: George A. Hagedorn 
Publication date: 20 March 1996
Published in: Memoirs of the American Mathematical Society (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1090/memo/0536
Recommendations
numerical simulationsBorn-Oppenheimer approximationscrossing manifold of the nuclear configuration spaceelectron level crossingsminimal multiplicity crossingsmolecular propagation
Chemistry (92E99) Singular perturbations in context of PDEs (35B25) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Research exposition (monographs, survey articles) pertaining to biology (92-02) Classical flows, reactions, etc. in chemistry (92E20)
Cited In (51)
- Wavepackets in inhomogeneous periodic media: effective particle-field dynamics and Berry curvature
- The level crossing problem in semi-classical analysis. I: The symmetric class.
- An integrable model of a planar tri-atomic molecule
- Resonances for matrix Schrödinger operators.
- Magnetic slowdown of topological edge states
- The level crossing problem in semi-classical analysis. II: The Hermitian case.
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- On the mathematical treatment of the Born-Oppenheimer approximation
- MOLECULAR PROPAGATION THROUGH SMALL AVOIDED CROSSINGS OF ELECTRON ENERGY LEVELS
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- Approximate controllability via adiabatic techniques for the three-inputs controlled Schrödinger equation
- Computing quantum dynamics in the semiclassical regime
- Non-adiabatic transitions near avoided crossings: theory and numerics
- Single switch surface hopping for molecular quantum dynamics
- Perturbation theory and molecular dynamics
- A kinetic model for the transport of electrons in a graphene layer
- Passage from Quantum to Classical Molecular Dynamics in the Presence of Coulomb Interactions
- Landau-Zener formula in a ``non-adiabatic regime for avoided crossings
- Molecular dynamics at an energy-level crossing
- Bistritzer–MacDonald dynamics in twisted bilayer graphene
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- A study of energy band rearrangement in isolated molecules by means of the Dirac oscillator approximation
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- On the conicity of eigenvalues intersections for parameter-dependent self-adjoint operators
- Permutationally invariant 3-dimensional vector spaces of \(3\times 3\) symmetric matrices: a groupoid
- Propagation of wave packets for systems presenting codimension one crossings
- Coherent electronic transport in periodic crystals
- Turning points for adiabatically perturbed periodic equations
- The Fokker-Planck operator as an asymptotic limit in anisotropic media
- An algorithm for quantum propagation through electron level crossings
- Computational error estimates for Born-Oppenheimer molecular dynamics with nearly crossing potential surfaces
- Effective mass theorems with Bloch modes crossings
- Adiabatic and non-adiabatic evolution of wave packets and applications to initial value representations
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- Edge State Dynamics Along Curved Interfaces
- A hybrid method for computing the Schrödinger equations with periodic potential with band-crossings in the momentum space
- WIGNER MEASURES AND MOLECULAR PROPAGATION THROUGH GENERIC ENERGY LEVEL CROSSINGS
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- Raising and lowering operators for semiclassical wave packets
- Adaptive artificial boundary condition for the two-level Schrödinger equation with conical crossings
- An Egorov theorem for avoided crossings of eigenvalue surfaces
- A nonlinear Landau-Zener formula
- Landau--Zener formula for non-degenerate involutive codimension 3 crossings.
- Propagation of coherent states through conical intersections
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- Wavepackets in inhomogeneous periodic media: propagation through a one-dimensional band crossing
- Classification of Hamiltonians in neighborhoods of band crossings in terms of the theory of singularities
- Energy Level Crossings in Molecular Dynamics
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