title: Comparing thermal wave function methods for multi-configuration time-dependent Hartree simulations.
abstract: We compare two methods for creating stochastic temperature wave functions that can be used for Multi-Configuration Time-Dependent Hartree (MCTDH) simulations. In the first method, the MCTDH coefficients are chosen randomly, while the other method uses a single Hartree product of random single-particle functions (SPFs). We find that using random SPFs dramatically improves convergence for a model system for surface sticking.
authors: Universität Potsdam, Institut für Chemie, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm, Germany.
authors: U
authors: U
authors: Lorenz
authors: Universität Potsdam, Institut für Chemie, Karl-Liebknecht-Strasse 24-25, D-14476 Potsdam-Golm, Germany.
authors: P
authors: P
authors: Saalfrank