Search results for "Correlation"
showing 10 items of 2282 documents
Probing slow fluctuations in nonergodic systems: Interleaved sampling technique
2007
We present a new dynamic light scattering scheme to obtain ensemble-averaged correlation functions of slow fluctuations in non-ergodic systems in an efficient way. On a rotating sample, a large set of separate correlation functions is measured in parallel, for each independent orientational component of the sample’ density fluctuations. The ensemble-averaged correlation function spans a lag time range from 1 to 104 s. We describe our first implementation of this technique, discuss its statistical accuracy and show first results. Compared to plain ensemble averaging over a series of N measurements, the total measurement time is usualy reduced by a factor N without significant degradation of …
Correlation of primary relaxations and high-frequency modes in supercooled liquids. I. Theoretical background of a nuclear magnetic resonance experim…
2006
The question regarding a possible correlation of the time scales of primary and secondary relaxations in supercooled liquids is formulated quantitatively. It is shown how this question can be answered using spin-lattice relaxation weighted stimulated-echo experiments, which are presented in an accompanying paper [A. Nowaczyk, B. Geil, G. Hinze, and R. Böhmer, Phys. Rev. E 74, 041505 (2006)]. General theoretical expressions relevant for the description of such experiments in the presence of correlation effects are derived. These expressions are analyzed by Monte Carlo integration for various correlation scenarios also including exchange processes, which are the hallmark of dynamical heteroge…
Correlation Functions and Finite–Size Effects in Granular Media
2014
A model is considered, where the local order parameter is an n–component vector. This model allows us to calculate correlation functions, describing the correlations between local order parameter at different spatial coordinates. The longitudinal and transverse Fourier–transformed two–point correlation functions \(G_{\parallel }(\mathbf{k})\) and \(G_{\perp }(\mathbf{k})\) in presence of an external field h are considered in some detail. In the thermodynamic limit, these correlation functions exhibit the so-called Goldstone mode singularities below certain critical temperature at an infinitesimal external field \(h = +0\). The actual model can be applied to granular media, in which case it …
General Hartree–Fock method and symmetry breaking in quantum dots
2010
Interaction and correlation effects in quantum dots play a fundamental role in defining both their equilibrium and transport properties. Numerical methods are commonly employed to study such systems. In this paper we present a two-step approach in which a Hartree-Fock method, with explicit symmetry breaking, is followed by a projection technique for symmetry restoration. Three different Hartree-Fock implementations, with an increasing degree of symmetry breaking, are introduced and applied to the study of interacting planar dots with N = 3 and 6, electrons in the presence of a perpendicular magnetic field. In addition to the restricted and unrestricted techniques already employed for quantu…
REMARKS ON THE METHODS OF INVESTIGATIONS OF ALIGNMENT OF GALAXIES
2011
In the 1975 Hawley and Peebles gave the proposal to use three statistical tests for investigations of the galaxies orientation in the large structures. Nowadays, it has been considered as the standard method of searching for galactic alignments. In the present paper we analyzed the tests in details and proposed a few improvements. Basing on the improvements, the new method of analysis of the alignment of galaxies in clusters is proposed. The power of this method is demonstrated on the sample of 247 Abell clusters with at least 100 objects in each. The distributions of the position angles for galaxies in each cluster are analyzed using statistical tests: $\chi^2$, Fourier, autocorrelation an…
Electronic correlation effects and the Coulomb gap at finite temperature.
2000
We have investigated the effect of the long-range Coulomb interaction on the one-particle excitation spectrum of n-type Germanium, using tunneling spectroscopy on mechanically controllable break junctions. The tunnel conductance was measured as a function of energy and temperature. At low temperatures, the spectra reveal a minimum at zero bias voltage due to the Coulomb gap. In the temperature range above 1 K the Coulomb gap is filled by thermal excitations. This behavior is reflected in the temperature dependence of the variable-range hopping resitivity measured on the same samples: Up to a few degrees Kelvin the Efros-Shkovskii ln$R \propto T^{-1/2}$ law is obeyed, whereas at higher tempe…
Perturbative treatment of scalar-relativistic effects in coupled-cluster calculations of equilibrium geometries and harmonic vibrational frequencies …
2007
An analytic scheme for the computation of scalar-relativistic corrections to nuclear forces is presented. Relativistic corrections are included via a perturbative treatment involving the mass-velocity and the one-electron and two-electron Darwin terms. Such a scheme requires mixed second derivatives of the nonrelativistic energy with respect to the relativistic perturbation and the nuclear coordinates and can be implemented using available second-derivative techniques. Our implementation for Hartree-Fock self-consistent field, second-order Moller-Plesset perturbation theory, as well as the coupled-cluster level is used to investigate the relativistic effects on the geometrical parameters an…
Explicitly correlated connected triple excitations in coupled-cluster theory.
2009
A way to incorporate explicit electron correlation into connected triple excitations in coupled-cluster theory is proposed. The new ansatz is applied to the coupled-cluster singles and doubles model with noniterative triple excitations [CCSD(T)] and does not introduce any further sets of equations to be solved. A first implementation using automated generation and string-based evaluation of the explicit expressions is reported. The results demonstrate that the ansatz significantly enhances the basis set convergence of the noniterative triple excitation correction and thus improves upon previous approaches to explicitly correlated CCSD(T).
Explicitly correlated coupled-cluster theory using cusp conditions. I. Perturbation analysis of coupled-cluster singles and doubles (CCSD-F12)
2010
Geminal functions based on Slater-type correlation factors and fixed expansion coefficients, determined by cusp conditions, have in recent years been forwarded as an efficient and numerically stable method for introducing explicit electron correlation into coupled-cluster theory. In this work, we analyze the equations of explicitly correlated coupled-cluster singles and doubles (CCSD-F12) theory and introduce an ordering scheme based on perturbation theory which can be used to characterize and understand the various approximations found in the literature. Numerical results for a test set of 29 molecules support our analysis and give additional insight. In particular, our results help ration…
Multicomponent density-functional theory for time-dependent systems
2007
We derive the basic formalism of density functional theory for time-dependent electron-nuclear systems. The basic variables of this theory are the electron density in body-fixed frame coordinates and the diagonal of the nuclear N-body density matrix. The body-fixed frame transformation is carried out in order to achieve an electron density that reflects the internal symmetry of the system. We discuss the implications of this body-fixed frame transformation and establish a Runge-Gross-type theorem and derive Kohn-Sham equations for the electrons and nuclei. We illustrate the formalism by performing calculations on a one-dimensional diatomic molecule for which the many-body Schrodinger equati…