相关论文: Numerical computation of critical properties and a…

The von Neumann entanglement entropy is studied with the density-matrix renormalization group technique. We propose a simple approach to calculate the central charge using the entanglement entropy for one-dimensional (1D) quantum system.…

The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…

Electron tomography is becoming an increasingly important tool in materials science for studying the three-dimensional morphologies and chemical compositions of nanostructures. The image quality obtained by many current algorithms is…

We present assembly-theory, a Rust package for computing assembly indices of covalently bonded molecular structures. This is a key complexity measure of assembly theory, a recent theoretical framework quantifying selection across diverse…

We analyze the electronic structure of atoms in the first, second and third periods using the electronic kinetic energy density and stress tensor density, which are local quantities motivated by quantum field theoretic consideration,…

We introduce the Binless Multidimensional Thermodynamic Integration (BMTI) method for nonparametric, robust, and data-efficient density estimation. BMTI estimates the logarithm of the density by initially computing log-density differences…

This Mathematica 5.2 package~\footnote{QDENSITY is available at http://www.pitt.edu/~tabakin/QDENSITY} is a simulation of a Quantum Computer. The program provides a modular, instructive approach for generating the basic elements that make…

In chemical graph theory, topological indices are widely used as numerical descriptors for establishing quantitative structure-property relationships (QSPR) and quantitative structure-activity relationships (QSAR). These indices…

This study explores the role of information entropy in understanding nuclear density distributions, including both stable configurations and non-traditional structures such as neutron halos and $\alpha$-clustering. By quantifying the…

We present an information-theoretic assessment of atomic and molecular densities in the ground state and under a range of physical scenarios--excitation, confinement, and ensemblization. Comparisons across densities obtained from…

Doping impurity atoms is a strategy commonly used to tune the functionality of materials including catalysts, semiconductors, and quantum emitters. The location of dopants and their interaction with surrounding atoms could significantly…

A three dimensional string model is analyzed in the strong coupling regime. The contribution of surfaces with different topology to the partition function is essential. A set of corresponding models is discovered. Their critical indices,…

The "chemical bond" is a central concept in molecular sciences, but there is no consensus as to what a bond actually is. Therefore, a variety of bonding models have been developed, each defining the structure of molecules in a different…

Research on the use of information geometry (IG) in modern physics has witnessed significant advances recently. In this review article, we report on the utilization of IG methods to define measures of complexity in both classical and,…

3D-Integration is a promising technology towards higher interconnect densities and shorter wiring lengths between multiple chip stacks, thus achieving a very high performance level combined with low power consumption. This technology also…

Objective quality assessment of 3D point clouds is essential for the development of immersive multimedia systems in real-world applications. Despite the success of perceptual quality evaluation for 2D images and videos, blind/no-reference…

The aim of this work is to verify the new entropic and information inequalities for non-composite systems using experimental $5 \times 5$ density matrix of the qudit state, measured by the tomographic method in a multi-level superconducting…

An universal approximation technique for analysis of different characteristics of states of composite infinite-dimensional quantum systems is proposed and used to prove general results concerning the properties of correlation and…

A brief history of the impurity theories in semiconductors is provided. A bound exciton model is proposed for both donor- and acceptor- like impurities and point defects, which offers a unified understanding for "shallow" and "deep"…

A double-index atomic partitioning of the molecular first-order density matrix is proposed. Contributions diagonal in the atomic indices correspond to atomic density matrices, whereas off-diagonal contributions carry information about the…