Search results for "Statistical physics"
showing 10 items of 1402 documents
Spatial multifractal properties of wave packets in the Anderson model of localization.
1993
The multifractal properties of electronic wave functions in disordered samples are investigated. In a given energy range all eigenstates are determined for the same disorder configuration in the Anderson model of localization. It is shown that the singularity spectrum and the generalized dimensions change only slowly with energy, aside from statistical fluctuations. More important, the wave packet constructed by linear combination of the eigenstates shows quantitatively the same multifractal properties. Consequences for the transport properties of electronic states in disordered systems are discussed.
Assessment of the CTOCD-DZ methodin a hierarchy of coupled cluster methods
2010
Gauge origin independent calculations of nuclear magnetic shielding tensors are carried out inside the formalism of the continuous transformation of the origin of the current density leading to formal annihilation of its diamagnetic contribution (CTOCD-DZ). We employ the unrelaxed linear response approach with a hierarchy of different coupled cluster methods in order to assess the importance of the level of approximation in the coupled cluster expansion. The basis set dependence of the computed nuclear magnetic shielding constants is also analyzed in the series of correlation consistent basis sets, with the aim of designing optimized basis sets of relatively small size.
An exact thermodynamical model of power-law temperature time scaling
2016
In this paper a physical model for the anomalous temperature time evolution (decay) observed in complex thermodynamical system in presence of uniform heat source is provided. Measures involving temperatures T with power-law variation in time as T(t)∝tβ with β∈R shows a different evolution of the temperature time rate T(t) with respect to the temperature time-dependence T(t). Indeed the temperature evolution is a power-law increasing function whereas the temperature time rate is a power-law decreasing function of time. Such a behavior may be captured by a physical model that allows for a fast thermal energy diffusion close to the insulated location but must offer more resistance to the therm…
Attractive ion-ion correlation forces and the dielectric approximation.
2016
We analyze the classical problem of the interaction between two charged surfaces separated by a solution containing neutralizing counter-ions. The focus is on obtaining a description where the solvent is treated explicitly rather than through a dielectric approximation as is conventionally done. We summarize the results of three papers where we have used a Stockmayer fluid model in Monte Carlo simulations. It is shown that the attractive ion-ion correlation mechanism is also operating when the solvent is described explicitly. There appears an oscillatory component to the force, but when this is accounted for, there is a semi-quantitative agreement between the continuum model and the model w…
Evidence against a glass transition in the 10-state short range Potts glass
2002
We present the results of Monte Carlo simulations of two different 10-state Potts glasses with random nearest neighbor interactions on a simple cubic lattice. In the first model the interactions come from a \pm J distribution and in the second model from a Gaussian one, and in both cases the first two moments of the distribution are chosen to be equal to J_0=-1 and Delta J=1. At low temperatures the spin autocorrelation function for the \pm J model relaxes in several steps whereas the one for the Gaussian model shows only one. In both systems the relaxation time increases like an Arrhenius law. Unlike the infinite range model, there are only very weak finite size effects and there is no evi…
Thermostats: Modeling non-equilibrium dynamics
2012
Accurate ab initio density fitting for multiconfigurational self-consistent field methods
2008
Using Cholesky decomposition and density fitting to approximate the electron repulsion integrals, an implementation of the complete active space self-consistent field (CASSCF) method suitable for large-scale applications is presented. Sample calculations on benzene, diaquo-tetra- μ -acetato-dicopper(II), and diuraniumendofullerene demonstrate that the Cholesky and density fitting approximations allow larger basis sets and larger systems to be treated at the CASSCF level of theory with controllable accuracy. While strict error control is an inherent property of the Cholesky approximation, errors arising from the density fitting approach are managed by using a recently proposed class of auxi…
Towards a novel energy density functional for beyond-mean-field calculations with pairing and deformation
2018
We take an additional step towards the optimization of the novel finite-range pseudopotential at constrained Hartree-Fock-Bogolyubov level and implement an optimization procedure within an axial code using harmonic oscillator basis. We perform the optimization using three different numbers of the harmonic oscillator shells. We apply the new parameterizations in the O-Kr part of the nuclear chart and isotopic chain of Sn, and we compare the results with experimental values and those given by a parameterization obtained using a spherical code.
Dynamical entanglement-transfer for quantum information networks
2004
A key element in the architecture of a quantum information processing network is a reliable physical interface between fields and qubits. We study a process of entanglement transfer engineering, where two remote qubits respectively interact with entangled two-mode continuous variable (CV) field. We quantify the entanglement induced in the qubit state at the expenses of the loss of entanglement in the CV system. We discuss the range of mixed entangled states which can be obtained with this set-up. Furthermore, we suggest a protocol to determine the residual entangling power of the light fields, inferring, thus, the entanglement left in the field modes which, after the interaction, are no lon…
An optimized Bell test in a dynamical system
2010
The best realization of a Bell test depends on parameters linked to experimental settings. We report, for a class of two-qubit states, some optimized parameters that are useful to perform an optimized Bell test in a dynamical context. The time evolution of these optimized parameters, that present finite jumps, is investigated for two qubits in separated cavities.