0000000000418906
AUTHOR
Florian R. Krajewski
Comparison of two non-primitive methods for path integral simulations: Higher-order corrections vs. an effective propagator approach
Two methods are compared that are used in path integral simulations. Both methods aim to achieve faster convergence to the quantum limit than the so-called primitive algorithm (PA). One method, originally proposed by Takahashi and Imada, is based on a higher-order approximation (HOA) of the quantum mechanical density operator. The other method is based upon an effective propagator (EPr). This propagator is constructed such that it produces correctly one and two-particle imaginary time correlation functions in the limit of small densities even for finite Trotter numbers P. We discuss the conceptual differences between both methods and compare the convergence rate of both approaches. While th…
Quantum Creep and Quantum-Creep Transitions in 1D Sine-Gordon Chains
Discrete sine-Gordon (SG) chains are studied with path-integral molecular dynamics. Chains commensurate with the substrate show the transition from collective quantum creep to pinning at bead masses slightly larger than those predicted from the continuous SG model. Within the creep regime, a field-driven transition from creep to complete depinning is identified. The effects of disorder in the external potential on the chain's dynamics depend on the potential's roughness exponent $H$, i.e., quantum and classical fluctuations affect the current self-correlation functions differently for $H = 1/2$.
Many-body quantum dynamics by adiabatic path-integral molecular dynamics: Disordered Frenkel Kontorova models
The spectral density of quantum mechanical Frenkel Kontorova chains moving in disordered, external potentials is investigated by means of path-integral molecular dynamics. If the second moment of the embedding potential is well defined (roughness exponent ), there is one regime in which the chain is pinned (large masses of chain particles) and one in which it is unpinned (small ). If the embedding potential can be classified as a random walk on large length scales ( ), then the chain is always pinned irrespective of the value of . For , two phonon-like branches appear in the spectra.