Related papers: First-Principles Electronegativity Scale from the …
We apply the ideas of effective field theory to nonrelativistic quantum mechanics. Utilizing an artificial boundary of ignorance as a calculational tool, we develop the effective theory using boundary conditions to encode short-ranged…
Describing the Coulomb interactions between electrons in atomic or molecular systems is an important step to help us obtain accurate results for the different observables in the system. One convenient approach is to separate the dynamic…
The electronic excitation spectrum of a material characterises the response to external electromagnetic perturbations through its energy loss function (ELF), which is obtained from several experimental sources that usually do not completely…
We use Cosmic Microwave Background data from the WMAP, SPT, BICEP, and QUaD experiments to obtain constraints on the dark matter particle mass $m_\chi$, and show that the combined data requires $m_\chi > 7.6$ GeV at the 95% confidence level…
We consider various forms of a process, which we call {\em gluing}, for combining two or more complementary quantum channel pairs $(\mathcal{B},\mathcal{C})$ to form a composite. One type of gluing combines a perfect channel with a second…
We introduce a number of techniques in quantitative convergent-beam electron diffraction under development by our group and discuss the basis for measuring interatomic electrostatic potentials (and therefore also electron densities),…
Investigating Li$^+$ transport within the amorphous lithium phosphorous oxynitride (LiPON) framework, especially across a Li||LiPON interface, has proven challenging due to its amorphous nature and varying stoichiometry, necessitating large…
An essential part of experimental program at the future Electron Ion Collider is the study of the nuclear structure and dynamics at low $x$. DIS at low $x$ is characterized by large longitudinal coherence length that by far exceeds radii of…
Machine learning interatomic potentials (MLIPs) enable efficient modeling of molecular interactions with quantum mechanical (QM) accuracy. However, constructing robust and representative training datasets that capture subtle,…
We give a detailed description of a recently proposed first principles approach to the electronic structure of strongly correlated materials. The method combines the GW approximation with dynamical mean field theory. It is designed to…
Although nonclassical quantum states are important both conceptually and as a resource for quantum technology, it is often difficult to test whether a given quantum system displays nonclassicality. A simple method to certify nonclassicality…
We demonstrate a general three-dimensional semiclassical model as a powerful technique for the study of correlated multi-electron escape in atoms driven by infrared laser pulses at intensities where electron-electron correlation prevails.…
Machine learning interatomic potentials (MLIAPs) have emerged as powerful tools for accelerating materials simulations with near-density functional theory (DFT) accuracy. However, despite significant advances, we identify a critical yet…
Electrochemical interfaces are of fundamental importance in electrocatalysis, batteries, and metal corrosion. Finite-field methods are one of most reliable approaches for modeling electrochemical interfaces in complete cells under realistic…
Spin susceptibility of Anderson impurities is a key quantity in understanding the physics of Kondo screening. Traditional numerical renormalization group (NRG) calculation of the impurity contribution $\chi_{\textrm{imp}}$ to…
The triple differential cross section of $^{208}\rm{Pb}(^6\rm{Li};\alpha,\rm{d})^{208}\rm{Pb}$ elastic Coulomb breakup is calculated using the semiclassical method. We fit the parameters of the Woods-Saxon potential using the experimental…
We present a detailed investigation of the electronic structure and bonding characteristics of hydrogen-based molecular systems (\ch{H2+}, \ch{H2}, \ch{H2-}) using the Exact Diagonalization Ab Initio (EDABI) approach within the framework of…
This paper presents a new explanation of the width of gamma-ray spectra based on Rahm's electronegativity scale. This quantitatively proves, for the first time, that positrophilic electrons in the positron-electron annihilation process are…
Reactions between light charged nuclei at sub-Coulomb energies are crucial in astrophysical environments, but accurate cross-section measurements are hindered by electron screening. Traditional methods, including polynomial extrapolation…
Molecular dynamics simulations at a constant electric potential are an essential tool to study electrochemical processes, providing microscopic information on the structural, thermodynamic, and dynamical properties. Despite the numerous…