COMPARISON OF THE NUMERICAL MATRIX MULTIPLICATION AND QUANTUM MONTE-CARLO SIMULATIONS - CALCULATION OF SPATIAL DELOCALIZATION PARAMETERS

An algebraic (= deterministic) scheme - the numerical matrix multiplic ation (NMM) - is used for the calculation of spatial expectation value s and associated dispersions of a one-dimensional model system, The ca pability of the procedure is tested by computing the spatial atomic de localization of a harmonic oscillator in thermodynamic equilibrium, Th e numerical data are compared with analytical results, The determinist ic method yields highly accurate values even at very low temperatures, To obtain results of comparable accuracy with statistical quantum Mon te Carlo (QMC) simulations a much higher computational effort is requi red, i.e. such simulations need a large number of QMC steps and time s lices.