Approximation of the time-dependent electronic Schrödinger equation by MCTDHF

DOI10.1016/J.AMC.2005.04.027MaRDI QIDQ2489452zbMATH OpenOpenAlexFDO

Authors Othmar Koch, A. Scrinzi, W. 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

Dirac-Frenkel principlelinear electronic Schrödinger equationmethod of linesmulti-configuration time-dependent Hartree-Fock methodnumerical examplepseudospectral methodRunge-Kutta methodsplitting methodtime-dependent Schrödinger equationultrafast laser dynamics

Mathematics Subject Classification ID

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

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Cites work

• A variational splitting integrator for quantum molecular dynamics.
• Error bounds for exponential operator splittings
• scientific article; zbMATH DE number 5849958 (Why is no real title available?)
• scientific article; zbMATH DE number 1745051 (Why is no real title available?)
• scientific article; zbMATH DE number 3285978 (Why is no real title available?)
• scientific article; zbMATH DE number 3020007 (Why is no real title available?)
• Linear functional analysis. An application oriented introduction
• On variational approximations in quantum molecular dynamics
• Semigroups of linear operators and applications to partial differential equations
• Spectral Methods in MATLAB

Cited in

(11)

• Dual dynamically orthogonal approximation of incompressible Navier Stokes equations with random boundary conditions
• Stability properties of a projector-splitting scheme for dynamical low rank approximation of random parabolic equations
• Adaptive spectral solution method for the Landau and Lenard-Balescu equations
• Time integration in the multiconfiguration time-dependent Hartree method of molecular quantum dynamics
• An error analysis of the multi-configuration time-dependent Hartree method of quantum dynamics
• Construction of accelerating wavepackets
• Numerical methods for molecular time-dependent schrödinger equations — bridging the perturbative to nonperturbative regime
• Convergence of exponential Lawson-multistep methods for the MCTDHF equations
• Efficient computation of the MCTDHF approximation to the time-dependent Schrödinger equation
• Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics
• Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations

Describes a project that uses

Uses Software

• MCTDH
• Matlab

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