Related papers: Why is the ground state electron configuration for…
The ground and some excited states of the Li atom in external uniform magnetic fields are calculated by means of our 2D mesh Hartree-Fock method for field strengths ranging from zero up to 2.35 10^8 T. With increasing field strength the…
A simple, seven-parameter trial function is proposed for a description of the ground state of the Lithium atom. It includes both spin functions. Inter-electronic distances appear in exponential form as well as in a pre-exponential factor,…
Calculations of the positron-Li system were performed using the Stochastic Variational Method and yielded a minimum energy of -7.53208 Hartree for the L=0 ground state. Unlike previous calculations of this system, the system was found to be…
Supported by results obtained with semi-classical quantization techniques, and with a quantum mechanical "square-root Klein-Gordon" operator, it is argued that Positronium (Ps) may exhibit a proper quantum-mechanical ground state whose…
We provide the first counterexample showing that the ground state energy of electrons in an external Coulomb potential is not always a convex function of the number of electrons. This convexity has been conjectured for decades and plays an…
Hyperfine structure of the ground $2^{2}S-$states of the three-electron atoms and ions is investigated. By using our recent numerical values for the doublet electron density at the atomic nucleus we determine the hyperfine structure of the…
The two electron configuration in the Helium atom is known to very high precision. Yet, we tend to refer to this configuration as a $1s\uparrow 1s\downarrow$ singlet, where the designations refer to Hydrogen orbitals. The high precision…
This article examines the problem of Lithium-Sulfur (Li-S) battery state estimation. Such estimation is important for the online management of this energy-dense chemistry. The literature uses equivalent circuit models (ECMs) for Li-S state…
The energy interval between the ground and the P-wave excited states of the recently discovered positronium molecule Ps_2 is evaluated, including the relativistic and the leading logarithmic radiative corrections, E_P-E_S = 0.181 586 7(8)…
We present systematic calculations of energy levels of the $1s^22l$ and $1s2l2l'$ states of ions along the lithium isoelectronic sequence from carbon till chlorine. The calculations are performed by using the…
Many-body variational ground-state wave function of two-dimensional electron system (2DES), localized in the main strip (MS)$L_{x}^{\square} \times L_{y}$ of the finite width $L_{x}^{\square}=\sqrt{2 \pi m} \ell_{0}$ (and the periodic…
We study the $^{11}\mathrm{Li}$ and $^{22}\mathrm{C}$ nuclei at leading order (LO) in halo effective field theory (Halo EFT). Using the value of the $^{22}\mathrm{C}$ rms matter radius deduced in Ref. [1] as an input in a LO calculation, we…
Lithium-sulfur (Li-S) batteries offer substantial theoretical energy density gains over Li-ion bat-teries, a crucial factor for transportation electrification. In addition, sulfur is an earth-abundant, inexpensive material obtainable from…
Using density functional theory the atomic and electronic structure of sodium are predicted to depart substantially from those expected of simple metals for $r_s <$ 2.48 ($p > 130$ GPa). Newly-predicted phases include those with low…
In narrow-band conductors a weakly screened Coulomb interelectron repulsion can supress narrow-band electrons' hopping, resulting in formation of a ``frozen'' electron phase which differs principally from any known macroscopic…
In the absence of disorder, electrons can display glassy behavior through supercooling the liquid state, avoiding the solidification into a charge ordered state. Such supercooled electron liquids are experimentally found in organic…
Electronic phases that lie outside the equilibrium ground state offer a route to explore competing configurations in correlated materials. In 1T-TaS2, ultrafast excitation accesses a metallic hidden phase that is distinct from the…
We consider a model of three electrons and one hole confined in a two-dimensional (2D) plane, interacting with one another through Coulomb forces. Using a Ritz variational method we find an upper bound of \approx -0.0112me^4/8\pi^2 \epsilon…
We have completed theoretical predictions for positronium energy levels through order alpha^6 m by the calculation of the spin independent, radiative recoil correction. This contribution is significant and amounts to 10.64 MHz for the 1S…
The electronic structure of the lithium atom in a strong magnetic field 0 <= gamma <= 10 is investigated. Our computational approach is a full configuration interaction method based on a set of anisotropic Gaussian orbitals that is…