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We present for static density functional theory and time-dependent density functional theory calculations an all-electron method which employs high-order hierarchical finite element bases. Our mesh generation scheme, in which structured…

Materials Science · Physics 2009-08-06 Lauri Lehtovaara , Ville Havu , Martti Puska

A Poisson-Boltzmann approach is used to determine the double-layer integral and differential capacitances in a finite-length situation for an electrolytic cell. By means of simple analytical calculations, it is shown how these quantities…

Statistical Mechanics · Physics 2012-04-03 Roberta Rarumy Ribeiro de Almeida , Luiz Roberto Evangelista , Giovanni Barbero

The calculation of electronic properties of materials is an important task of solid state theory, albeit particularly difficult if electronic correlations are strong, for example in transition metals, their oxides and in f-electron systems.…

Strongly Correlated Electrons · Physics 2009-09-29 K. Held

An ab-initio pseudopotential calculation using density functional theory within the local density approximation has been performed to investigate the electronic properties of TlSe which is of chain-like crystal geometry. The energy bands…

Strongly Correlated Electrons · Physics 2007-05-23 Ş. Ellialtıoğlu , E. Mete , R. Shaltaf , K. Allakhverdiev , F. Gashimzade , M. Nizametdinova , G. Orudzhev

Electron density is a fundamental quantity, which can in principle determine all ground state electronic properties of a given system. Although machine learning (ML) models for electron density based on either an atom-centered basis or a…

Chemical Physics · Physics 2024-10-08 Chaoqiang Feng , Yaolong Zhang , Bin Jiang

The density of two-dimensional Ag adatom gases on W(110) is determined by monitoring local electron reflectivity using low energy electron microscopy (LEEM). This method of adatom concentration measurement can detect changes in adatom…

Materials Science · Physics 2007-05-23 J. de la Figuera , N. C. Bartelt , K. F. McCarty

We present a complete recipe to extract the density-density correlations and the static structure factor of a two-dimensional (2D) atomic quantum gas from in situ imaging. Using images of non-interacting thermal gases, we characterize and…

Quantum Gases · Physics 2011-09-05 Chen-Lung Hung , Xibo Zhang , Li-Chung Ha , Shih-Kuang Tung , Nathan Gemelke , Cheng Chin

We study various properties of bosons in two dimensions interacting only via onsite hardcore repulsion. In particular, we use the lattice spin-wave approximation to calculate the ground state energy, the density, the condensate density and…

Superconductivity · Physics 2007-05-23 K. Bernardet , G. G. Batrouni , J. -L. Meunier , G. Schmid , M. Troyer , A. Dorneich

Using the tensor Radon transform and related numerical methods, we study how bulk geometries can be explicitly reconstructed from boundary entanglement entropies in the specific case of $\mathrm{AdS}_3/\mathrm{CFT}_2$. We find that, given…

High Energy Physics - Theory · Physics 2020-12-30 ChunJun Cao , Xiao-Liang Qi , Brian Swingle , Eugene Tang

The study of the gauge field is an everlasting topic in modern physics. Spin-orbit coupling is a powerful tool in ultracold atomic systems, resulting in an artificial gauge field that can be easily manipulated and observed in a tabletop…

Quantum Gases · Physics 2025-02-05 Xiang-Can Cheng , Zong-Yao Wang , Jinyi Zhang , Shuai Chen , Xiaotian Nie

Conceptualization, theory, method developments and implementations are always of great importance and an interesting task to explore a new dimension in science and technology, which is highly solicited for various functional-driven…

Mesoscale and Nanoscale Physics · Physics 2025-05-07 Karuppuchamy Navamani

We set up a trace formula for the relativistic density of states in terms of a topological sum of classical periodic orbits. The result is applicable to any relativistic integrable system.

Quantum Physics · Physics 2007-05-23 H. Kleinert , D. H. Lin

Dual formulations of Abelian U(1) and Z(N) LGT with a static fermion determinant are constructed at finite temperatures and non-zero chemical potential. The dual form is valid for a broad class of lattice gauge actions, for arbitrary number…

High Energy Physics - Lattice · Physics 2022-03-09 O. Borisenko , V. Chelnokov , S. Voloshyn , P. Yefanov

A novel geometric formalism for statistical estimation is applied here to the canonical distribution of classical statistical mechanics. In this scheme thermodynamic states, or equivalently, statistical mechanical states, can be…

Quantum Physics · Physics 2009-10-30 Dorje C. Brody , Lane P. Hughston

A quantum system's state is identified with a density matrix. Though their probabilistic interpretation is rooted in ensemble theory, density matrices embody a known shortcoming. They do not completely express an ensemble's physical…

Quantum Physics · Physics 2021-06-30 Fabio Anza , James P. Crutchfield

We present a technique to compute the microcanonical thermodynamical properties of a manybody quantum system using tensor networks. The Density Of States (DOS), and more general spectral properties, are evaluated by means of a…

Quantum Physics · Physics 2017-09-07 Fabian Schrodi , Pietro Silvi , Ferdinand Tschirsich , Rosario Fazio , Simone Montangero

We investigate a relativistic adaptation of the Lattice Boltzmann Method that reproduces the equations of motion for a turbulent, two-dimensional, massless hydrodynamic system. The classical Lattice Boltzmann Method and its extension to…

Fluid Dynamics · Physics 2024-06-12 Mark Watson

According to density functional theory, any chemical property can be inferred from the electron density, making it the most informative attribute of an atomic structure. In this work, we demonstrate the use of established physical methods…

Materials Science · Physics 2023-09-12 Ethan M. Sunshine , Muhammed Shuaibi , Zachary W. Ulissi , John R. Kitchin

We present a correction method for the density of states (DOS) obtained from the generalized ensemble simulations. The DOS is proportionally corrected to match the exact values and/or good approximations known for the system. We demonstrate…

Statistical Mechanics · Physics 2012-05-16 Shijun Lei

We report on the growth and characterization of a new Diluted Magnetic Semiconductor (DMS) heterostructure that presents a Two-Dimensional Electron Gas (2DEG) with a carrier density $n \sim 1.08 \times 10^{12} cm^{-2}$ and a mobility $\mu…

Mesoscale and Nanoscale Physics · Physics 2008-07-18 A. Bove , F. Altomare , N. B. Kundtz , Albert M. Chang , Y. J. Cho , X. Liu , J. Furdyna
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