Numerical integrators for quantum dynamics close to the adiabatic limit

DOI10.1007/S00211-002-0421-1zbMATH Open1029.65069OpenAlexW2005812552MaRDI QIDQ1402162FDOQ1402162

Authors: Tobias Jahnke, Christian Lubich 

Publication date: 19 August 2003

Published in: Numerische Mathematik (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s00211-002-0421-1

Recommendations

• Long-Time-Step Integrators for Almost-Adiabatic Quantum Dynamics
• A variational splitting integrator for quantum molecular dynamics.
• Adaptive time propagation for time-dependent Schrödinger equations
• Exponential integrators for quantum-classical molecular dynamics
• Time adaptive Zassenhaus splittings for the Schrödinger equation in the semiclassical regime

zbMATH Keywords

numerical exampleserror estimatessingular perturbationquantum dynamicsadiabatic limitmidpoint schemestime-reversible integratorSchrödinger equation

Mathematics Subject Classification ID

Linear ordinary differential equations and systems (34A30) Singular perturbations for ordinary differential equations (34E15) Error bounds for numerical methods for ordinary differential equations (65L70) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Numerical methods for initial value problems involving ordinary differential equations (65L05)

Cited In (18)

• RCMS: Right correction Magnus series approach for oscillatory ODEs
• WKB-method for the 1D Schrödinger equation in the semi-classical limit: enhanced phase treatment
• Stationary Schrödinger equation in the semi-classical limit: numerical coupling of oscillatory and evanescent regions
• Adiabatic midpoint rule for the dispersion-managed nonlinear Schrödinger equation
• A fourth-order Magnus scheme for Helmholtz equation
• Adiabatic Filon-type methods for highly oscillatory second-order ordinary differential equations
• Robust numerical fluxes for unrealizable states
• Quantum dynamics with the parallel transport gauge
• Adiabatic and post-adiabatic representations for multichannel Schrödinger equations
• Adiabatic integrators for highly oscillatory second-order linear differential equations with time-varying eigendecomposition
• Long-Time-Step Integrators for Almost-Adiabatic Quantum Dynamics
• WKB-based scheme with adaptive step size control for the Schrödinger equation in the highly oscillatory regime
• Stationary Schrödinger equation in the semi-classical limit: WKB-based scheme coupled to a turning point
• The scaling, splitting, and squaring method for the exponential of perturbed matrices
• Numerical analysis of the adiabatic variable method for the approximation of the nuclear hamiltonian
• A rigorous implementation of the Jeans - Landau - Teller approximation for adiabatic invariants
• Optimally truncated WKB approximation for the 1D stationary Schrödinger equation in the highly oscillatory regime
• Towards sharp error analysis of extended Lagrangian molecular dynamics

This page was built for publication: Numerical integrators for quantum dynamics close to the adiabatic limit

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q1402162)