相关论文: Charge-optimized many-body interaction potential f…
We use the Newns-Anderson Hamiltonian to describe many-body electronic processes that occur when hyperthermal alkali atoms scatter off metallic surfaces. Following Brako and Newns, we expand the electronic many-body wavefunction in the…
The augmented Lagrangiam method (ALM), widely used in quantum chemistry constrained optimization problems, is applied in the context of the nuclear Density Functional Theory (DFT) in the self-consistent constrained Skyrme…
Ultracold interacting atoms are an excellent tool to study correlation functions of many-body systems that are generally eluding detection and manipulation. Herein, we investigate the ground state of bosons in a tilted triple-well potential…
Multiple interactions of quarks and gluons in high-energy heavy-ion collisions may give rise to interesting phemomena of color charges propagating in high-density QCD matter. We study the dynamics of multi-parton systems produced in…
In-medium effects are introduced in the microscopic description of the effective nucleon-nucleon (NN) interaction potential entitled DDR3Y in terms of the density-dependent nucleon-meson couplings within the Relativistic-Hartree-Bogoliubov…
A dynamical investigation of the nucleon-nucleon (NN) interaction by using the resonating group method (RGM) in a chiral SU(3) quark model has been revisited. The considered quark-quark interaction includes, besides the one-gluon exchange…
The discovery of new functional materials is one of the key challenges in materials science. Combinatorial high-throughput approaches using reactive sputtering are commonly employed to screen unexplored phase spaces. During reactive…
We present new interaction potential curves, calculated from first-principle, for the He$(^3$S)$...$H$_2$ and He$(^3$S)$...$Ar systems, relevant in Penning's ionization experiments. Two different approaches were applied: supermolecular…
The interplay of electronic and nuclear degrees of freedom presents an outstanding problem in condensed matter physics and chemistry. Computational challenges arise especially for large systems, long time scales, in nonequilibrium, or in…
Atomic layer deposition (ALD) is a promising technique to functionalize particle surfaces for energy applications including energy storage, catalysis, and decarbonization. In this work, we present a set of models of ALD particle coating to…
Atomic layer deposition allows for precise control over film thickness and conformality. It is a critical enabler of high aspect ratio structures, such as 3D NAND memory, since its self-limiting behavior enables higher conformality than…
{\alpha}-phase Ruthenium (III) chloride ({\alpha}-RuCl3) has attracted significant attention because of its potential for realizing Kitaev quantum spin liquid. In this work, we employ first-principles many-body perturbation theory to study…
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsorbates, and electrolyte. Predicting stable surface structures…
Ultracold dipolar atoms and molecules provide a flexible quantum simulation platform for studying strongly interacting many-body systems. Determining microscopic Hamiltonian parameters of the simulator is crucial for it to be useful. We…
A general method to find an effective potential of interaction between far separated 2D and 3D solitons is elaborated, including the case of 2D vortex solitons. The method is based on explicit calculation of the overlapping term in the full…
The effective Kbar N interaction based on chiral SU(3) coupled-channel dynamics is derived and its extrapolation below the Kbar N threshold is studied in detail. Starting from the coupled-channel scattering equations, we eliminate the…
Based on an accurate determination of the potential energy surfaces of Rb$_3^+$ correlated to its first asymptotic limit Rb$^+$$+$Rb($5s$)$+$Rb($5s$), we identify the presence of intersections of a pair of singlet and triplet surfaces over…
The latest advances in the field of photonics have enabled the simulation of an increasing number of quantum models in photonic systems, turning them into an important tool for realizing exotic quantum phenomena. In this paper we suggest…
Central idea: To obtain the interaction potential using the inverse scattering method, we have employed the Physics-Informed Machine Learning (PIML) approach. In this framework, the machine learning algorithm is guided by the underlying…
Solids facing a plasma are a common situation in many astrophysical systems and laboratory setups. Moreover, many plasma technology applications rely on the control of the plasma-surface interaction. However, presently often a fundamental…