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Electron dispersion forces play a crucial role in determining the structure and properties of biomolecules, molecular crystals and many other systems. However, an accurate description of dispersion is highly challenging, with the most…

Materials Science · Physics 2013-01-30 Jiří Klimeš , Angelos Michaelides

We present a detailed derivation of Fourier's law in a class of stochastic energy exchange systems that naturally characterize two-dimensional mechanical systems of locally confined particles in interaction. The stochastic systems consist…

Statistical Mechanics · Physics 2009-08-29 Pierre Gaspard , Thomas Gilbert

The spectra of random feature matrices provide essential information on the conditioning of the linear system used in random feature regression problems and are thus connected to the consistency and generalization of random feature models.…

Machine Learning · Statistics 2022-12-13 Zhijun Chen , Hayden Schaeffer , Rachel Ward

We present and compare two families of ensembles of random density matrices. The first, static ensemble, is obtained foliating an unbiased ensemble of density matrices. As criterion we use fixed purity as the simplest example of a useful…

Quantum Physics · Physics 2015-10-20 Carlos Pineda , Thomas H. Seligman

Measurements and calculations of Coulomb drag between two low density, closely spaced, two-dimensional electron systems are reported. The experimentally measured drag exceeds that calculated in the random phase approximation by a…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 M. Kellogg , J. P. Eisenstein , L. N. Pfeiffer , K. W. West

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, traditional approximations fail to include Van der Waals energies…

Condensed Matter · Physics 2016-08-31 Walter Kohn , Yigal Meir , Dmitrii E. Makarov

Density functional theory (DFT) is the de facto approach for predicting self-consistent-field electronic structures of ground-state configurations of complex atoms, molecules, and solids and providing their property data for materials…

Materials Science · Physics 2024-01-30 Zi-Kui Liu

We introduce a general framework for analyzing data modeled as parameterized families of networks. Building on a Gromov-Wasserstein variant of optimal transport, we define a family of parameterized Gromov-Wasserstein distances for comparing…

Machine Learning · Statistics 2025-09-29 Mario Gómez , Guanqun Ma , Tom Needham , Bei Wang

Using the method of energy-level statistics, the localization properties of electrons moving in two dimensions in the presence of a perpendicular random magnetic field and additional random disorder potentials are investigated. For this…

Mesoscale and Nanoscale Physics · Physics 2009-10-30 M. Batsch , L. Schweitzer , B. Kramer

We construct a density functional theory for two-dimension electron (hole) gases subjected to both strong magnetic fields and external potentials. In particular, we are focused on regimes near even-denominator filling factors, in which the…

Strongly Correlated Electrons · Physics 2019-03-11 Yinhan Zhang , Junren Shi

We introduce a theoretical model to scrutinize the conductivity of small polarons in one-dimensional disordered systems, focusing on two crucial --as will be demonstrated-- factors: the density of states and the spatial extent of the…

Disordered Systems and Neural Networks · Physics 2014-01-03 Margarita Dimakogianni , Constantinos Simserides , Georgios P. Triberis

In the recent work of S. Sharma \emph{et al.}, (arxiv.org: arxiv:0912.1118), a single-electron spectrum associated with the natural orbitals was defined as the derivative of the total energy with respect to the occupation numbers at half…

Chemical Physics · Physics 2012-03-07 E. N. Zarkadoula , S. Sharma , J. K. Dewhurst , E. K. U. Gross , N. N. Lathiotakis

Two single-particle sources coupled in series to a chiral electronic waveguide can serve as a probabilistic source of two-particle excitations with tunable properties. The second-order correlation function, characterizing the state of…

Mesoscale and Nanoscale Physics · Physics 2014-01-07 Michael Moskalets

Electron and phonon correlations in systems of one-dimensional electrons coupled to phonons are studied at low temperatures by emphasizing on the effect of electron-phonon backward scattering. It is found that the $2k_F$-wave components of…

Strongly Correlated Electrons · Physics 2009-11-13 Leiming Chen

In the present communication the Bayesian conditional probability approach is applied to the wave function of a many-electron system that results in appearance of a quantum vector potential in the DFT Schrodinger equation due to electron…

Chemical Physics · Physics 2012-12-05 R. Tsekov , G. N. Vayssilov

This article provides an overview on the statistical modeling of complex data as increasingly encountered in modern data analysis. It is argued that such data can often be described as elements of a metric space that satisfies certain…

Methodology · Statistics 2024-02-28 Paromita Dubey , Yaqing Chen , Hans-Georg Müller

In this perspective, the various measures of electron correlation used in wavefunction theory, density functional theory and quantum information theory are briefly reviewed. We then focus on a more traditional metric based on dominant…

Chemical Physics · Physics 2023-04-07 Róbert Izsák , Aleksei V Ivanov , Nick S. Blunt , Nicole Holzmann , Frank Neese

Density-functional theory is used to study the electronic structure of quantum dots in a magnetic field. New series of magic numbers are found for the total angular momentum of electrons. The empirical formula for the plateau width is…

Mesoscale and Nanoscale Physics · Physics 2022-09-13 A. A. Vasilchenko

We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…

Materials Science · Physics 2009-11-10 Roi Baer , Daniel Neuhauser

Hilbert space combines the properties of two fundamentally different types of mathematical spaces: vector space and metric space. While the vector-space aspects of Hilbert space, such as formation of linear combinations of state vectors,…

Quantum Physics · Physics 2015-05-27 I. D'Amico , J. P. Coe , V. V. Franca , K. Capelle