Related papers: Nearsightedness of Electronic Matter in One Dimens…
In an earlier paper, W. Kohn had qualitatively introduced the concept of "nearsightedness" of electrons in many-atom systems. It can be viewed as underlying such important ideas as Pauling's "chemical bond," "transferability" and Yang's…
Our quest to design materials often envisions as a first step the conceptual decomposition of a material into meaningful atomic scale neighborhoods. The performance of the monolithic material is then seen to arise from the combined…
In simulations of metallic interfaces, a critical aspect of metallic behavior is missing from the some of the most widely used classical molecular dynamics force fields. We present a modification of the embedded atom method (EAM) which…
As a new approach to efficiently describe correlation effects in the relativistic quantum world we propose to consider reduced density matrix functional theory, where the key quantity is the first-order reduced density matrix (1-RDM). In…
In-situ transmission electron microscopy (TEM) has become an important technique to study dynamic processes at highest spatial resolution and one branch is the investigation of phenomena related with electrical currents. Here, we present…
The NMR technique is quite essential as it permits atomic scale measurements in materials. The aim of this article is to present the main parameters accessible to NMR experiments and to relate them to the electronic properties of simple…
The recently developed Deep Potential [Phys. Rev. Lett. 120, 143001, 2018] is a powerful method to represent general inter-atomic potentials using deep neural networks. The success of Deep Potential rests on the proper treatment of locality…
We present an analytical study of the spatial decay rate $\gamma$ of the one-particle density matrix $\rho(\vec r,\vec r')\sim\exp(-\gamma|\vec r-\vec r'|)$ for systems described by single particle orbitals in periodic potentials in…
Electronic excitations in atomic, molecular, and crystal targets are at the forefront of the ongoing search for light, sub-GeV dark matter (DM). In many light DM-electron interactions the energy and momentum deposited is much smaller than…
In this article, we present a nano-electromechanical system (NEMS) designed to detect changes in the Casimir Energy. The Casimir effect is a result of the appearance of quantum fluctuations in the electromagnetic vacuum. Previous…
A solid state electronic nanodevice is an intrinsically open quantum system, exchanging both energy with the host material and carriers with connected reservoirs. Its out-of-equilibrium behavior is determined by a non-trivial interplay…
Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…
We present a way to manipulate an electron trapped in a layered quantum dot based on near-threshold properties of one-body potentials. We show that potentials with a simple global parameter allows the manipulation of the wave function…
The properties of electrons in matter are of fundamental importance. They give rise to virtually all molecular and material properties and determine the physics at play in objects ranging from semiconductor devices to the interior of giant…
Electron-electron interactions are at the origin of many exotic electronic properties of materials which have emerged from recent experimental observations. The main important phenomena discovered are related with electronic magnetic…
Spectral functions of the nucleon and its negative parity excited state in nuclear matter are studied using QCD sum rules and the maximum entropy method (MEM). It is found that in-medium modifications of the spectral functions are…
A new class of hybrid systems that couple optical, electrical and mechanical degrees of freedom in nanoscale devices is under development in laboratories worldwide. These nano-opto-electro-mechanical systems (NOEMS) offer unprecedented…
Continuous structural health monitoring (SHM) and integrated nondestructive evaluation (NDE) are important for ensuring the safe operation of high-risk engineering structures. Recently, piezoresistive nanocomposite materials have received…
The quest for a non-zero electric dipole moment (EDM) of simple systems such as the electron, the neutron or atoms / molecules is a pow- erful way to search for physics beyond the standard model (SM) in par- ticular for new sources of CP…
Microscopy has been key to tremendous advances in science, technology, and medicine, revealing structure and dynamics across time and length scales. However, combining high spatial and temporal resolution in a non-invasive, label-free…