Regularity of the multi-configuration time-dependent Hartree approximation in quantum molecular dynamics
Othmar Koch, Christian Lubich (2007)
ESAIM: Mathematical Modelling and Numerical Analysis
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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...