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A one parameter expression for the single ionization cross-section of atoms by electron impact is presented. Using this expression, the agreement obtained with available experimental data for 45 elements (from ionization threshold up to 200…
Accurate cloud property retrieval is vital for understanding cloud behavior and its impact on climate, including applications in weather forecasting, climate modeling, and estimating Earth's radiation balance. The Independent Pixel…
Based on thermodynamic integration we introduce atoms in molecules (AIM) using the orbital-free framework of alchemical perturbation density functional theory (APDFT). Within APDFT, atomic energies and electron densities in molecules are…
We present a theoretical method for calculating multiphoton ionization amplitudes and cross sections of few-electron atoms. The present approach is based on an extraction of partial wave amplitudes from a scattering wave function, which is…
An extensive comparison of the path uncertainty in single particle tracking systems for ion imaging was carried out based on Monte Carlo simulations. The spatial resolution as function of system parameters such as geometry, detector…
We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules…
Advances in laser technology have driven discoveries in atomic, molecular, and optical (AMO) physics and emerging applications, from quantum computers with cold atoms or ions, to quantum networks with solid-state color centers. This…
We consider an analytic approach to the elucidation of the role played by Coulomb interaction in the formation of the spectrum and angular distributions of the electrons produced by above threshold ionization of the atoms. Our approach is…
We present phase-shift calculations for positron collisions with positive ions using a complex scaling method (CSM). Based on the findings of this study [R. Suzuki, T. Myo, and K. Kat\={o}, Prog. Theor. Phys. 113, 1273 (2005).], we propose…
In molecular photofragmentation processes by soft X-rays, a number of ionic fragments can be produced, each having a different abundance and correlation with the emitted electron kinetic energy. For investigating these fragmentation…
This paper investigates the identifiability and estimation of the parameters of the single particle model (SPM) for lithium-ion battery simulation. Identifiability is addressed both in principle and in practice. The approach begins by…
Relevant uncertainties on theoretical atomic data are vital to determine the accuracy of plasma diagnostics in a number of areas including in particular the astrophysical study. We present a new calculation of the uncertainties on the…
A major challenge in image segmentation is classifying object boundaries. Recent efforts propose to refine the segmentation result with boundary masks. However, models are still prone to misclassifying boundary pixels even when they…
Ionization of atoms and molecules by absorption of a light pulse results in electron wavepackets carrying information on the atomic or molecular structure as well as on the dynamics of the ionization process. These wavepackets can be…
Current methods for investigation of receptor - ligand interactions in drug discovery are based on three-dimensional complementarity of receptor and ligand surfaces, and they include pharmacophore modelling, QSAR, molecular docking etc.…
The Particle-In-Cell (PIC) and Monte Carlo Collisions (MCC) methods are workhorses of many numerical simulations of physical systems. Recently, it was pointed out that, while the two methods can be exactly - or nearly - energy-conserving…
Recently we have developed a robust, basis-space implementation of the iterated stockholder atoms (BS-ISA) approach for defining atoms in a molecule. This approach has been shown to yield rapidly convergent distributed multipole expansions…
Light and matter share fundamental statistical properties, yet the experimental probes of quantum optics and many-body physics have largely evolved along separate trajectories. While many-body physics explores emergent collective phenomena,…
The inclusion of the process of multiple ionization of atoms in high-intensity electromagnetic fields into particle-in-cell (PIC) codes applied to the simulation of laser-plasma interactions is a challenging task. In this paper, we first…
We present a source engineering concept for a binary quantum mixture suitable as input for differential, precision atom interferometry with drift times of several seconds. To solve the non-linear dynamics of the mixture, we develop a set of…