Related papers: Identity of electrons and ionization equilibrium
Electron localization is the tendency of an electron in a many-body system to exclude other electrons from its vicinity. Using a new natural measure of localization based on the exact manyelectron wavefunction, we find that localization can…
Helium (He) is the ideal atom to perform tests of ab-initio calculations in two-electron systems that consider all known effects, including quantum-electrodynamics and nuclear-size contributions. Recent state-of-the-art calculations and…
The Saha equations for photo-ionization process of hydrogen atoms and the creation of electron-positron pairs at high temperature are investigated in a reference frame undergoing a uniform accelerated motion in an otherwise flat Minkowski…
Crystal lattice structure is present in stellar compact objects, such as white dwarf stars and in the crust of neutron stars. These structures can be described by a body-centered cubic crystal, which is formed by ions due to Coulombian…
Understanding electron localization in molecules and materials plays a central role in electronic structure theory, and will increase in importance with the rise of data-driven approaches. The electron localization function (ELF) is widely…
The description of electronic exchange--correlation effects is of paramount importance for many applications in physics, chemistry, and beyond. In a recent Letter, Dornheim \textit{et al.} [\textit{Phys. Rev. Lett.}~\textbf{125}, 235001…
We study hydrogen plasmas at magnetic fields B ~ 10^{12}-10^{13} Gauss, densities ~ 10^{-3}-10^3 g/cc and temperatures T ~ 10^{5.5}-10^{6.5} K, typical of photospheres of middle-aged cooling neutron stars. We construct an analytical free…
We show that the traditional concept of the uniform electron gas (UEG) --- a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume --- is inadequate to model the UEGs that arise in finite…
In plasmas, electronic states can be well localized bound states or itinerant free states, or something in between. In self-consistent treatments of plasma electronic structure such as the average atom model, all states must be accurately…
Correspondences between the Thomson Problem and atomic electron shell-filling patterns are observed as systematic non-uniformities in the distribution of potential energy necessary to change configurations of $N\le 100$ electrons into…
We substantiate the need for account of the proper electromagnetic field of the electron in the canonical problem of hydrogen in relativistic quantum mechanics. From mathematical viewpoint, the goal is equivalent to determination of the…
It is economical to devise ways and means to simplify a multi-species particle system. The single fluid MHD description of a plasma is sufficiently adequate to study plasma phenomena . A plasma containing multi-species of particles can also…
An equilibrium theory of classical fluids based on the space distribution among the particles is derived in the framework of the energy minimization method. This study is motivated by current difficulties of evaluation of optical properties…
By performing an ensemble of molecular dynamics simulations, the model-dependent ionisation state is computed for strongly interacting systems self-consistently. This is accomplished through a free energy minimisation framework based on the…
We extend the quantal hypernetted-chain (QHNC) method, which has been proved to yield accurate results for liquid metals, to treat a partially ionized plasma. In a plasma, the electrons change from a quantum to a classical fluid gradually…
In Starrett and Saumon [Phys. Rev. E 87, 013104 (2013)] a model for the calculation of electronic and ionic structures of warm and hot dense matter was described and validated. In that model the electronic structure of one "atom" in a…
Under a certain scaling, the electron densities of finite systems become both large and slowly-varying, so that the gradient expansions of the density functionals for the Kohn-Sham kinetic and exchange energies become asymptotically exact…
Thermodynamic quantities of Coulomb plasmas consisting of point-like ions immersed in a compressible, polarizable electron background are calculated for ion charges Z=1 to 26 and for a wide domain of plasma parameters ranging from the…
Equation of state (EOS) describes the thermodynamic properties of substances. It has important applications in many fields such as power mechanics, geophysics, astrophysics, and detonation physics. Currently, most EOSs have been constructed…
The entanglement properties of two-electron atomic systems have been the subject of considerable research activity in recent years. These studies are still somewhat fragmentary, focusing on numerical computations on particular states of…