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

Othmar Koch, Christian 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 via the Dirac-Frenkel time-dependent variational principle, consist of a coupled system of low-dimensional nonlinear partial differential...

Remarks on the Fundamental Solution to Schrödinger Equation with Variable Coefficients

Kenichi Ito, Shu Nakamura (2012)

Annales de l’institut Fourier

We consider Schrödinger operators H on n with variable coefficients. Let H 0 = - 1 2 be the free Schrödinger operator and we suppose H is a “short-range” perturbation of H 0 . Then, under the nontrapping condition, we show that the time evolution operator: e - i t H can be written as a product of the free evolution operator e - i t H 0 and a Fourier integral operator W ( t ) which is associated to the canonical relation given by the classical mechanical scattering. We also prove a similar result for the wave operators. These results...

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