Related papers: Self-consistent calculations for atomic electron c…
This paper presents the electron and photon energy calibration obtained with the ATLAS detector using 140 fb$^{-1}$ of LHC proton-proton collision data recorded at $\sqrt{s}=13$ TeV between 2015 and 2018. Methods for the measurement of…
This paper derives and demonstrates a new, purely density-based ab initio approach for calculation of the energies and properties of many-electron systems. It is based upon the discovery of relationships that govern the "mechanics" of the…
A statistical theory of resonant multielectron recombination based on properties of chaotic eigenstates is developed. The level density of many-body states increases exponentially with the number of excited electrons. When the residual…
A few approximate schemes to solve the Hedin equations self-consistently introduced in (Phys. Rev. B 94, 155101 (2016)) are explored and tested for the 3D electron gas at metallic densities. We calculate one electron spectra, dielectric…
Self-consistent calculations of the energy-loss spectra of charged particles moving near a plane-bounded free electron gas are reported. Energy-loss probabilities are obtained, within linear-response theory, from the knowledge of the…
Last year the COHERENT collaboration was able to measure for the first time the Coherent Elastic Neutrino Nucleus Scattering (CE$\nu$NS). Neutrinos within the right energy range can be produced in large quantities at accelerator facilities…
We compute the isotope shifts of the \emph{total} electron binding energy of neutral atoms and singly charged ions up to element $Z=120$, using relativistic Hartree-Fock method including the Breit interaction. Field shift coefficients are…
Exploratory variational pseudopotential density functional calculations are performed for the electronic properties of many-electron systems in the 3D cartesian coordinate grid (CCG). The atom-centered localized gaussian basis set,…
We introduce a novel and concise methodology to detect the parity of atomic and molecular orbitals based on photoelectron holography, which is more general than the existing schemes. It fully accounts for the Coulomb distortions of electron…
The electron capture process was studied for Xe$^{54+}$ colliding with H$_2$ molecules at the internal gas target of the ESR storage ring at GSI, Darmstadt. Cross section values for electron capture into excited projectile states were…
We show that the spectrum and eigenstates of open-shell multicharged atomic ions near the ionization threshold are chaotic, as a result of extremely high level densities of multiply excited electron states (1000 levels per eV in Au 24+) and…
We present the first set of results of solving the Hartree-Fock-Bogoliubov equations, which describe the self-consistent mean field theory with pairing interaction. Calculations for even-even nuclei are carried out on a two-dimensional…
We describe a method for imposing the correct electron-nucleus (e-n) cusp in molecular orbitals expanded as a linear combination of (cuspless) Gaussian basis functions. Enforcing the e-n cusp in trial wave functions is an important asset in…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
We present a machine-learning approach toward predicting spectroscopic constants based on atomic properties. After collecting spectroscopic information on diatomics and generating an extensive database, we employ Gaussian process regression…
We study the evolution of the \eep cross section on nuclei with increasing asymmetry between the number of neutrons and protons. The calculations are done within the framework of the nonrelativistic and relativistic distorted-wave impulse…
Nuclear mass contains a wealth of nuclear structure information, and has been widely employed to extract the nuclear effective interactions. The known nuclear mass is usually extracted from the experimental atomic mass by subtracting the…
In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…
Hohenberg and Kohn have proven that the electronic energy and the one-particle electron density can, in principle, be obtained by minimizing an energy functional with respect to the density. While decades of theoretical work have produced…
Methods for estimating the correlation energy of molecules and other electronic systems are discussed based on the assumption that the correlation energy can be partitioned between atomic regions. In one method, the electron density is…