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H. De Raedt

Publications and source records attributed to H. De Raedt.

67 records · Page 4Linked to original sources
arXiv2003

Microscopic origin of the adiabatic change of magnetization in molecular magnets

A microscopic model of the molecular magnet V15 is used to study mechanisms for the adiabatic change of the magnetization in time-dependent magnetic fields. Effects of the Dzyaloshinskii-Moriya interaction, the most plausible source for the energy-level repulsions that lead to adiabatic changes of the magnetization, are studied in detail. We find that the energy-level repulsions that result from this interaction exhibit a strong dependence on the direction of the applied field. We also discuss the role of magnetic anisotropy in the molecule Mn12 -acetate.

cond-mat.mtrl-sci↗
arXiv2003

Magnetic energy-level diagrams of high-spin (Mn$_{12}$-acetate) and low-spin (V$_{15}$) molecules

The magnetic energy-level diagrams for models of the Mn12 and V15 molecule are calculated using the Lanczos method with full orthogonalization and a Chebyshev-polynomial-based projector method. The effect of the Dzyaloshinskii-Moriya interaction on the appearance of energy-level repulsions and its relevance to the observation of steps in the time-dependent magnetization data is studied. We assess the usefulness of simplified models for the description of the zero-temperature magnetization dynamics.

cond-mat.stat-mech↗
arXiv2003

Decoherence in quantum spin systems

Computer simulations of decoherence in quantum spin systems require the solution of the time-dependent Schrodinger equation for interacting quantum spin systems over extended periods of time. We use exact diagonalization, Chebyshev polynomial technique, four Suzuki-formula algorithms, and the short-iterative-Lanczos method to solve a simple model for decoherence of a quantum spin system by an environment consisting of quantum spins, and compare advantages and limitations of different algorithms.

quant-ph↗
arXiv2002

Numerical methods for solving the time-dependent Maxwell equations

We review some recent developments in numerical algorithms to solve the time-dependent Maxwell equations for systems with spatially varying permittivity and permeability. We show that the Suzuki product-formula approach can be used to construct a family of unconditionally stable algorithms, the conventional Yee algorithm, and two new variants of the Yee algorithm that do not require the use of the staggered-in-time grid. We also consider a one-step algorithm, based on the Chebyshev polynomial expansion, and compare the computational efficiency of the one-step, the Yee-type, the alternating-direction-implicit, and the unconditionally stable algorithms. For applications where the long-time behavior is of main interest, we find that the one-step algorithm may be orders of magnitude more efficient than present multiple time-step, finite-difference time-domain algorithms.

physics.comp-ph↗
arXiv2001

Beyond the poor man's implementation of unconditionally stable algorithms to solve the time-dependent Maxwell Equations

For the recently introduced algorithms to solve the time-dependent Maxwell equations (see Phys.Rev.E Vol.64 p.066705 (2001)), we construct a variable grid implementation and an improved spatial discretization implementation that preserve the property of the algorithms to be unconditionally stable by construction. We find that the performance and accuracy of the corresponding algorithms are significant and illustrate their practical relevance by simulating various physical model systems.

physics.comp-ph↗
arXiv2001

Unconditionally Stable Algorithms to Solve the Time-Dependent Maxwell Equations

Based on the Suzuki product-formula approach, we construct a family of unconditionally stable algorithms to solve the time-dependent Maxwell equations. We describe a practical implementation of these algorithms for one-, two-, and three-dimensional systems with spatially varying permittivity and permeability. The salient features of the algorithms are illustrated by computing selected eigenmodes and the full density of states of one-, two-, and three-dimensional models and by simulating the propagation of light in slabs of photonic band-gap materials.

physics.comp-ph↗
arXiv2001

Number Partitioning on a Quantum Computer

We present an algorithm to compute the number of solutions of the (constrained) number partitioning problem. A concrete implementation of the algorithm on an Ising-type quantum computer is given.

quant-ph↗
arXiv2001

Quantum Monte Carlo Method for Attractive Coulomb Potentials

Starting from an exact lower bound on the imaginary-time propagator, we present a Path-Integral Quantum Monte Carlo method that can handle singular attractive potentials. We illustrate the basic ideas of this Quantum Monte Carlo algorithm by simulating the ground state of hydrogen and helium.

physics.comp-ph↗
arXiv2000

Morphological Image Analysis of Quantum Motion in Billiards

Morphological image analysis is applied to the time evolution of the probability distribution of a quantum particle moving in two and three-dimensional billiards. It is shown that the time-averaged Euler characteristic of the probability density provides a well defined quantity to distinguish between classically integrable and non-integrable billiards. In three dimensions the time-averaged mean breadth of the probability density may also be used for this purpose.

nlin.CD↗
arXiv2000

Quantum Spin Dynamics and Quantum Computation

We describe a simulation method for a quantum spin model of a generic, general purpose quantum computer. The use of this quantum computer simulator is illustrated through several implementations of Grover's database search algorithm. Some preliminary results on the stability of quantum algorithms are presented.

quant-ph↗
arXiv1999

Quantum Statistical Mechanics on a Quantum Computer

We describe a quantum algorithm to compute the density of states and thermal equilibrium properties of quantum many-body systems. We present results obtained by running this algorithm on a software implementation of a 21-qubit quantum computer for the case of an antiferromagnetic Heisenberg model on triangular lattices of different size.

quant-ph↗
arXiv1999

Deceptive Apparent Nonadiabatic Magnetization Process

We discuss the effect of the thermal environment on the low-temperature response of the magnetization of uniaxial magnets to a time-dependent applied magnetic field. At sufficiently low temperatures the staircase magnetization curves observed in molecular magnets such as Mn_{12} and Fe_8 display little temperature dependence. However the changes of the magnetization at each step do not seem to be directly related to the probability for a quantum mechanical nonadiabatic transition. In order to explain this deceptive apparent nonadiabatic behavior, we study the quantum dynamics of the system in a thermal environment and propose a relation between the observed magnetization steps and the quantum mechanical transition probability due to the nonadiabatic transition.

cond-mat.stat-mech↗