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An accurate determination of the electron correlation energy is essential for describing the structure, stability, and function in a wide variety of systems, ranging from gas-phase molecular assemblies to condensed matter and…

Chemical Physics · Physics 2014-03-05 Alberto Ambrosetti , Anthony M. Reilly , Robert A. DiStasio , Alexandre Tkatchenko

After a brief discussion of the concepts of fractional exchange and fractional exclusion statistics, we report partly analytical and partly numerical results on thermodynamic properties of assemblies of particles obeying fractional…

Strongly Correlated Electrons · Physics 2011-11-10 F. M. D. Pellegrino , G. G. N. Angilella , N. H. March , R. Pucci

The scale of scientific High Performance Computing (HPC) and High Throughput Computing (HTC) has increased significantly in recent years, and is becoming sensitive to total energy use and cost. Energy-efficiency has thus become an important…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-10-14 David Abdurachmanov , Peter Elmer , Giulio Eulisse , Robert Knight , Tapio Niemi , Jukka K. Nurminen , Filip Nyback , Goncalo Pestana , Zhonghong Ou , Kashif Khan

The ${\cal O}(\alpha_s^2)$ coefficient of the energy-energy correlation function (EEC) has been calculated by four groups with differing results. This discrepancy has lead to some confusion over how to measure the strong coupling constant…

High Energy Physics - Phenomenology · Physics 2008-11-26 E. W. N. Glover , M. R. Sutton

The proper biological functioning of proteins often relies on the occurrence of coordinated fluctuations around their native structure, or of wider and sometimes highly elaborated motions. Coarse-grained elastic-network descriptions are…

Biomolecules · Quantitative Biology 2013-10-17 Yves Dehouck , Alexander S. Mikhailov

A fast method is developed for calculating the Random-Phase-Approximation (RPA) correlation energy for density functional theory. The correlation energy is given by a trace over a projected RPA response matrix and the trace is taken by a…

Chemical Physics · Physics 2013-01-01 Daniel Neuhauser , Eran Rabani , Roi Baer

Categorical variables are of uttermost importance in biomedical research. When two of them are considered, it is often the case that one wants to test whether or not they are statistically dependent. We show weaknesses of classical methods…

We devise a nonlocal correlation energy functional that describes the entire range of dispersion interactions in a seamless fashion using only the electron density as input. The new functional is considerably simpler than its predecessors…

Chemical Physics · Physics 2010-12-27 Oleg A. Vydrov , Troy Van Voorhis

In the present paper, we propose a new rank correlation coefficient $r_n$, which is a sample analogue of the theoretical correlation coefficient $r$, which, in turn, was proposed in the recent work of Stepanov (2025b). We discuss the…

Statistics Theory · Mathematics 2025-06-10 Alexei Stepanov

The spectrum and coherency are useful quantities for characterizing the temporal correlations and functional relations within and between point processes. This paper begins with a review of these quantities, their interpretation and how…

Biological Physics · Physics 2007-05-23 M. R. Jarvis , P. P. Mitra

The energy distance is used to test distributional equality, and as a loss function in machine learning. While $D^2(X, Y)=0$ only when $X\sim Y$, the sensitivity to different moments is of practical importance. This work considers $D^2(X,…

Machine Learning · Statistics 2025-05-28 Ian Langmore

The practice of collider physics typically involves the marginalization of multi-dimensional collider data to uni-dimensional observables relevant for some physics task. In any cases, such as classification or anomaly detection, the…

High Energy Physics - Phenomenology · Physics 2026-03-26 Arindam Bhattacharya , Katherine Fraser , Matthew D. Schwartz

In a recent Letter, Baer et al. present a stochastic method for Kohn-Sham density functional theory calculations. Their convergence criterion is the self-averaging total energy per electron, which requires a number of statistical samples…

Materials Science · Physics 2014-04-15 Jonathan E. Moussa , Andrew D. Baczewski

The use of correlation as a fitness function is explored in symbolic regression tasks and the performance is compared against the typical RMSE fitness function. Using correlation with an alignment step to conclude the evolution led to…

Neural and Evolutionary Computing · Computer Science 2022-08-02 Nathan Haut , Wolfgang Banzhaf , Bill Punch

A general approach to the design of accurate classical potentials for protein folding is described. It includes the introduction of a meaningful statistical measure of the differences between approximations of the same potential energy, the…

Biomolecules · Quantitative Biology 2009-11-13 Pablo Echenique , J. L. Alonso , Ivan Calvo

Modern randomization methods in clinical trials are invariably adaptive, meaning that the assignment of the next subject to a treatment group uses the accumulated information in the trial. Some of the recent adaptive randomization methods…

Methodology · Statistics 2024-02-12 Alan R. Vazquez , Weng Kee Wong

The fitness coefficient, introduced in this paper, results from a competition between parametric and nonparametric density estimators within the likelihood of the data. As illustrated on several real datasets, the fitness coefficient…

Statistics Theory · Mathematics 2018-06-18 Gildas Mazo , François Portier

Correlation functions measured as a function of $\Delta \eta, \Delta \phi$ have emerged as a powerful tool to study the dynamics of particle production in nuclear collisions at high energy. They are however subject, like any other…

Nuclear Experiment · Physics 2014-02-26 Shantam Ravan , Prabhat Pujahari , Sidharth Prasad , Claude A. Pruneau

Ensuring a satisfactory statistical convergence of anharmonic thermodynamic properties requires sampling of many atomic configurations, however the methods to obtain those necessarily produce correlated samples, thereby reducing the…

Statistical Mechanics · Physics 2022-06-07 Erki Metsanurk

The energy-energy correlation function of the two-dimensional Ising model with weakly fluctuating random bonds is evaluated in the large scale limit. Two correlation lengths exist in contrast to one correlation length in the pure 2D Ising…

Condensed Matter · Physics 2007-05-23 K. Ziegler