Related papers: Why is the ground state electron configuration for…
The properties of rechargeable lithium-ion batteries are determined by the electrochemical and kinetic properties of their constituent materials as well as by their underlying microstructure. Microstructural design can be leveraged to…
A calculation of two-electron QED effects to all orders in the nuclear binding strength parameter $Z\alpha$ is presented for the ground and $n = 2$ excited states of helium-like ions. After subtracting the first terms of the $Z\alpha$…
A series of density functional electronic structure calculations were carried out to better understand the crystallographic factors governing the stability of LinA3B2O12 lithium garnet phases against hydration. The reaction studied is H2O +…
Dielectronic recombination has been investigated for Delta-n = 1 resonances of ground-state Li+(1s^2) and for Delta-n = 0 resonances of metastable Li+(1s2s ^3S). The ground-state spectrum shows three prominent transitions between 53 and 64…
The form of electron correlations in a partially filled degenerate Landau level (LL) is related to the behavior of the anharmonic part of the interaction pseudopotential. Unlike in the lowest LL, the pseudopotential in the first excited LL…
The electron correlations near the half-filling of the lowest and excited Landau levels (LL's) are studied using numerical diagonalization. It is shown that in the low lying states electrons avoid pair states with relative angular momenta…
We investigate the ground state energy of an electron coupled to a photon field. First, we regard the self-energy of a free electron, which we describe by the Pauli-Fierz Hamiltonian. We show that, in the case of small values of the…
Observations of interstellar lithium provide a valuable complement to studies of lithium in Pop I and Pop II stars. Large corrections for unseen LiII and for non-gas phase lithium have provided obstacles to using interstellar data for…
A series of electronic and structural transitions are predicted in molten lithium from first principles. A new phase with tetrahedral local order characteristic of $sp^3$ bonded materials and poor electrical conductivity is found at…
The ground state of 2D electrons in high magnetic field is studied by the density matrix renormalization group method. The ground state energy, excitation gap, and pair correlation functions are systematically calculated at various fillings…
The ground state structure of few-electron concentric double quantum rings is investigated within the local spin density approximation. Signatures of inter-ring coupling in the addition energy spectrum are identified and discussed. We show…
Accurate tracking of the internal electrochemical states of lithium-ion battery during cycling enables advanced battery management systems to operate the battery safely and maintain high performance while minimizing battery degradation. To…
All-solid-state batteries are expected to enable batteries with high energy density with the use of lithium metal anodes. Although solid electrolytes are believed to be mechanically strong enough to prevent lithium dendrites from…
We consider a quantum many-body model describing a system of electrons interacting with themselves and hopping from one ion to another of a one dimensional lattice. We show that the ground state energy of such system, as a functional of the…
We report on \textit{ab initio} electronic structure simulations of Li$_2$O$_2$, where 1.6% of lithium atoms are substituted by silicon. It is demonstrated that this leads to the formation of conducting impurity states in the band gap of…
Consider $N$ bosons in a finite box $\Lambda= [0,L]^3\subset \mathbf R^3$ interacting via a two-body smooth repulsive short range potential. We construct a variational state which gives the following upper bound on the ground state energy…
The structure of the unnatural parity states of PsH, LiPs, NaPs and KPs are investigated with the configuration interaction and stochastic variational methods. The binding energies (in hartree) are found to be 8.17x10-4, 4.42x10-4,…
We present ab initio calculations of the complete gauge-invariant set of two-photon exchange graphs for the $(1s)^2 2p_{3/2}$ electron configuration in Li-like ions. These calculations are an important step towards the precise theoretical…
Lithium-sulfur (Li-S) batteries have become one of the most attractive alternatives over conventional Li-ion batteries due to their high theoretical specific energy density (2500 Wh/kg for Li-S vs. $\sim$250 Wh/kg for Li-ion). Accurate…
The main aim of this paper is to present accurate energy levels of the ground [Xe]$4f^{12}$ and first excited [Xe]$4f^{11}5d$ configurations of Er$^{2+}$. The energy level structure of the Er$^{2+}$ ion was computed using the…