Approximation of the time-dependent electronic Schrödinger equation by MCTDHF

DOI10.1016/j.amc.2005.04.027zbMath1088.65092OpenAlexW2018864848MaRDI QIDQ2489452

Armin Scrinzi, Othmar Koch, Wolfgang Kreuzer

Publication date: 28 April 2006

Published in: Applied Mathematics and Computation (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.amc.2005.04.027

zbMATH Keywords

numerical examplepseudospectral methodmethod of linesRunge-Kutta methodsplitting methodtime-dependent Schrödinger equationmulti-configuration time-dependent Hartree-Fock methodDirac-Frenkel principlelinear electronic Schrödinger equationultrafast laser dynamics

Mathematics Subject Classification ID

Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) PDEs in connection with quantum mechanics (35Q40) Spectral, collocation and related methods for initial value and initial-boundary value problems involving PDEs (65M70) Method of lines for initial value and initial-boundary value problems involving PDEs (65M20)

Related Items (7)

Construction of accelerating wavepackets ⋮ Dual dynamically orthogonal approximation of incompressible Navier Stokes equations with random boundary conditions ⋮ Adaptive spectral solution method for the Landau and Lenard-Balescu equations ⋮ Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations ⋮ Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics ⋮ Convergence of exponential Lawson-multistep methods for the MCTDHF equations ⋮ Stability properties of a projector-splitting scheme for dynamical low rank approximation of random parabolic equations

Uses Software

• Matlab
• MCTDH

Cites Work

• Semigroups of linear operators and applications to partial differential equations
• A variational splitting integrator for quantum molecular dynamics.
• Error bounds for exponential operator splittings
• Spectral Methods in MATLAB
• On variational approximations in quantum molecular dynamics
• Linear functional analysis. An application oriented introduction
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