Computing quantum dynamics in the semiclassical regime
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Publication:5887822
DOI10.1017/S0962492920000033OpenAlexW3003292238MaRDI QIDQ5887822
Caroline Lasser, Christian Lubich
Publication date: 14 April 2023
Published in: Acta Numerica (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2002.00624
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Cites Work
- High-dimensional integration: The quasi-Monte Carlo way
- Geometric Numerical Integration
- Functions of bounded variation, signed measures, and a general Koksma–Hlawka inequality
- A Fast Matrix-free Algorithm for Spectral Approximations to the Schrödinger Equation
- Some application of splitting-up methods to the solution of mathematical physics problems
- On the Construction and Comparison of Difference Schemes
- Monte Carlo sampling methods using Markov chains and their applications
- Propagation through conical crossings: An asymptotic semigroup
- A New Phase Space Density for Quantum Expectations
- Fundamental Properties of Hamiltonian Operators of Schrodinger Type
- On the principles of elementary quantum mechanics
- Symplectic Geometry
- Exponentially accurate semiclassical dynamics: Propagation, localization, Ehrenfest times, scattering, and more general states.
- Adiabatic decoupling and time-dependent Born-Oppenheimer theory
- An introduction to semiclassical and microlocal analysis
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Unnamed Item
- Adaptive splitting methods for nonlinear Schrödinger equations in the semiclassical regime
- Sobolev and max norm error estimates for Gaussian beam superpositions
- Effective approximation for the semiclassical Schrödinger equation
- Non-adiabatic transitions near avoided crossings: theory and numerics
- Hagedorn wavepackets in time-frequency and phase space
- The Siegel upper half space is a Marsden-Weinstein quotient: symplectic reduction and Gaussian wave packets
- On Fourier time-splitting methods for nonlinear Schrödinger equations in the semi-classical limit. II. Analytic regularity
- An exact local error representation of exponential operator splitting methods for evolutionary problems and applications to linear Schrödinger equations in the semi-classical regime
- Nonlinear coherent states and Ehrenfest time for Schrödinger equation
- Coherent states and applications in mathematical physics.
- On the classical limit of a time-dependent self-consistent field system: analysis and computation
- Generating function and a Rodrigues formula for the polynomials in \(d\)-dimensional semiclassical wave packets
- Funktionen von beschränkter Variation in der Theorie der Gleichverteilung
- Fourth order time-stepping for low dispersion Korteweg-de Vries and nonlinear Schrödinger equations
- A mathematical justification for the Herman-Kluk propagator
- From quantum to classical molecular dynamics: Reduced models and numerical analysis.
- Geometry of the time-dependent variational principle in quantum mechanics
- When is the Wigner quasi-probability density non-negative?
- Numerical integration using sparse grids
- Raising and lowering operators for semiclassical wave packets
- Adiabatic perturbation theory in quantum dynamics
- Error bounds for exponential operator splittings
- A general reduction scheme for the time-dependent Born-Oppenheimer approximation.
- On time-splitting spectral approximations for the Schrödinger equation in the semiclassical regime
- Semi-classical time-frequency analysis and applications
- On the structure and convergence of the symmetric Zassenhaus formula
- Uniform semiclassical estimates for the propagation of quantum observables.
- Semiclassical dynamics with exponentially small error estimates
- The Hagedorn-Hermite correspondence
- On the convergence of time splitting methods for quantum dynamics in the semiclassical regime
- High order efficient splittings for the semiclassical time-dependent Schrödinger equation
- An Egorov theorem for avoided crossings of eigenvalue surfaces
- Fourier transform on sparse grids: Code design and the time dependent Schrödinger equation
- Gabor frames of Gaussian beams for the Schrödinger equation
- Discretising the Herman-Kluk propagator
- An invariant class of wave packets for the Wigner transform
- The spectrogram expansion of Wigner functions
- Convergence of a semiclassical wavepacket based time-splitting for the Schrödinger equation
- Mathematical methods in quantum chemistry. An introduction
- A Concise Introduction to Geometric Numerical Integration
- Symplectic semiclassical wave packet dynamics
- Propagation of Quantum Expectations with Husimi Functions
- Splitting and composition methods in the numerical integration of differential equations
- Multilevel Monte Carlo Methods
- Corrections to Wigner type phase space methods
- Fourier Integrals in Classical Analysis
- ON THE HERMAN–KLUK SEMICLASSICAL APPROXIMATION
- Mathematical and computational methods for semiclassical Schrödinger equations
- Mesures semi-classiques et croisement de modes
- Simulating Hamiltonian Dynamics
- Computing Expectation Values for Molecular Quantum Dynamics
- Splitting methods
- Computational chemistry from the perspective of numerical analysis
- Computing Semiclassical Quantum Dynamics with Hagedorn Wavepackets
- Quantal phase factors accompanying adiabatic changes
- Propagation through Generic Level Crossings: A Surface Hopping Semigroup
- Strang Splitting for the Time-Dependent Schrödinger Equation on Sparse Grids
- Twisted pseudodifferential calculus and application to the quantum evolution of molecules
- Symplectic Methods in Harmonic Analysis and in Mathematical Physics
- Decomposition of Hardy Functions into Square Integrable Wavelets of Constant Shape
- Harmonic Analysis in Phase Space. (AM-122)
- The squeezed state approach of the semiclassical limit of the time-dependent Schrödinger equation
- Molecular propagation through electron energy level crossings
- Numerical Study of Time-Splitting Spectral Discretizations of Nonlinear Schrödinger Equations in the Semiclassical Regimes
- Geometric numerical integration illustrated by the Störmer–Verlet method
- Visual Quantum Mechanics
- Symplectic semiclassical wave packet dynamics II: non-Gaussian states
- The Semiclassical Way to Dynamics and Spectroscopy
- Non-Hermitian propagation of Hagedorn wavepackets
- Symmetric Kronecker Products and Semiclassical Wave Packets
- Frozen Gaussian approximation with surface hopping for mixed quantum-classical dynamics: A mathematical justification of fewest switches surface hopping algorithms
- An Efficient Time-splitting Method for the Ehrenfest Dynamics
- Quantum Theory for Mathematicians
- Error estimates for Gaussian beam superpositions
- MOLECULAR PROPAGATION THROUGH SMALL AVOIDED CROSSINGS OF ELECTRON ENERGY LEVELS
- Classification and normal forms for avoided crossings of quantum-mechanical energy levels
- Equation of State Calculations by Fast Computing Machines
- Uniformly accurate time-splitting methods for the semiclassical linear Schrödinger equation
- Geometric integrators and the Hamiltonian Monte Carlo method
- Numerical methods for Kohn–Sham density functional theory
- Strang Splitting in Combination with Rank-1 and Rank-r Lattices for the Time-Dependent Schrödinger Equation
- Symmetry and conservation laws in semiclassical wave packet dynamics
- Optimal Error Estimates for First-Order Gaussian Beam Approximations to the Schrödinger Equation
- Sparse grids
- Efficient methods for linear Schrödinger equation in the semiclassical regime with time-dependent potential
- On Fourier Time-Splitting Methods for Nonlinear Schrödinger Equations in the Semiclassical Limit
- An Asymptotic Preserving Scheme Based on a New Formulation for NLS in the Semiclassical Limit