We propose an efficient path integral scheme for calculating the quantum dynamics of an arbitrary one-dimensional system coupled nonlinearly to many anharmonic noninteracting ‘‘bath’’ degrees of freedom. The starting point is an improved discretization of the path integral in terms of numerically constructed propagators [Chem. Phys. Lett. 193, 435 (1992)]. The resulting influence functional is comprised of one-dimensional correlation functions with step-structured time-dependent potentials and therefore is similar in structure to that employed in the spin-boson calculations of Coalson [J. Chem. Phys. 86, 995 (1987)]. In the present case, though, the influence functional is nonlinear and is computed using numerical iterative wave function propagation methods. Numerical tests on a system coupled to ten anharmonic oscillators demonstrate the efficiency of the proposed scheme, which requires numerical effort that scales only linearly with the number of anharmonic bath degrees of freedom.
The forward-backward (FB) approximation as applied to semiclassical initial value representations (SCIVR's) has enabled the practical application of the SCIVR methodology to systems with many degrees of freedom. However, to date a systematic representation of the exact quantum dynamics in terms of the FB-SCIVR has proven elusive. In this paper, we provide a new derivation of a forward-backward phase space SCIVR expression (FBPS-SCIVR) derived previously by Thompson and Makri [Phys. Rev. E 59, R4729 (1999)]. This enables us to represent quantum correlation functions exactly in terms of a series whose leading order term is the FBPS-SCIVR expression. Numerical examples for systems with over 50 degrees of freedom are presented for the spin boson problem. Comparison of the FBPS-SCIVR with the numerically exact results of Wang [J. Chem. Phys. 113, 9948 (2000)] obtained using a multiconfigurational time dependent method shows that the leading order FBPS-SCIVR term already provides an excellent approximation.
The critical behavior of the gauge-glass and the
XY spin-glass models in three dimensions is studied by analyzing their nonequilibrium aging dynamics. A new numerical method, which relies on the calculation of the two-time correlation and integrated response functions, is used to determine both the critical temperature and the nonequilibrium scaling exponents, both for spin and chiral degrees of freedom. First, the ferromagnetic
XY model is studied to validate this nonequilibirum aging method (NAM) since for this nondisordered system we can compare with known results obtained with standard equilibrium and nonequilibrium techniques. When applied to the case of the gauge-glass model, we show that the NAM allows us to obtain precise and reliable values of its critical quantities, improving previous estimates. The
XY spin-glass model with both Gaussian and bimodal bond distributions is analyzed in more detail. The spin and the chiral two-time correlation and integrated response functions are calculated in our simulations. The results obtained mainly for Gaussian and, to a lesser extent, for bimodal interactions support the existence of a spin-chiral decoupling scenario, where the chiral order occurs at a finite temperature while the spin degrees of freedom order at very low or zero temperature.