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Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics

Othmar KochChristian Lubich — 2007

ESAIM: Mathematical Modelling and Numerical Analysis

We discuss the multi-configuration time-dependent Hartree (MCTDH) method for the approximation of the time-dependent Schrödinger equation in quantum molecular dynamics. This method approximates the high-dimensional nuclear wave function by a linear combination of products of functions depending only on a single degree of freedom. The equations of motion, obtained the Dirac-Frenkel time-dependent variational principle, consist of a coupled system of low-dimensional nonlinear partial differential...

An error analysis of the multi-configuration time-dependent Hartree method of quantum dynamics

Dajana ConteChristian Lubich — 2010

ESAIM: Mathematical Modelling and Numerical Analysis

This paper gives an error analysis of the multi-configuration time-dependent Hartree (MCTDH) method for the approximation of multi-particle time-dependent Schrödinger equations. The MCTDH method approximates the multivariate wave function by a linear combination of products of univariate functions and replaces the high-dimensional linear Schrödinger equation by a coupled system of ordinary differential equations and low-dimensional nonlinear partial differential equations. The main result of this...

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