Related papers: Why is the ground state electron configuration for…
The Lieb-Mattis theorem on the antiferromagnetic ordering of energy levels is generalized to SU(N) extended Hubbard model with Heisenberg exchange and pair-hopping terms. It is proved that the minimum energy levels among the states from…
We calculate the ground state phase diagram of the homogeneous electron gas in three dimensions within the Hartree-Fock approximation and show that broken symmetry states are energetically favored at any density against the homogeneous…
Joint ground states of two directed polymers in a random medium are investigated. Using exact min-cost flow optimization the true two-line ground-state is compared with the single line ground state plus its first excited state. It is found…
In this paper the spin configurations of the ground state and one- and two-electron excited states of the Hubbard model on the square lattice are studied. We profit from a general rotated-electron description, which is consistent with the…
The existence of a second bound state of PsH that is electronically stable and also stable against positron annihilation by the normal 2gamma and 3gamma processes is demonstrated by explicit calculation. The state can be found in the 2,4So…
Electrides are materials in which some of the electrons are localized at the interstitial sites rather than around the atoms or along atomic bonds. Most elemental electrides are either alkali metals or alkaline-earth metals because of their…
Extensive variational computations are reported for the ground state energy of the non-relativistic two-electron atom. Several different sets of basis functions were systematically explored, starting with the original scheme of Hylleraas.…
Based on its simple valence electron configuration, we may expect lithium to have straightforward physical properties that are easily explained. However, solid lithium, when cooled below 77 K, develops a complex structure that has been…
Electronic states are responsible for most material properties, including chemical bonds, electrical and thermal conductivity, as well as optical and magnetic properties. Experimentally, however, they remain mostly elusive. Here, we report…
The spectral properties of up to four interacting electrons confined within a quasi one--dimensional system of finite length are determined by numerical diagonalization including the spin degree of freedom. The ground state energy is…
We perform no-core full configuration calculations for a set of light nuclei including $^{16}$O with a realistic NN interaction, JISP16. We obtain ground state energies and their uncertainties through exponential extrapolations that we…
Lithium (Li) metal anodes are essential for developing next-generation high-energy-density batteries. However, Li dendrite/whisker formation caused short-circuiting issue and short cycle life have prevented lithium metal from being viably…
Consider $N$ bosons in a finite box $\Lambda= [0,L]^3\subset \bR^3$ interacting via a two-body nonnegative soft potential $V= \lambda \tilde V$ with $\tilde V$ fixed and $\lambda>0$ small. We will take the limit $L, N \to \infty$ by keeping…
A space-periodic ground state is shown to exist for lattices of smeared ions in $\R^3$ coupled to the Schr\"odinger and scalar fields. The elementary cell is necessarily neutral. The 1D, 2D and 3D lattices in $\R^3$ are considered, and a…
We determine the electronic structure of the one-dimensional spin-1/2 Heisenberg compound $\gamma$-LiV$_2$O$_5$, which has two inequivalent vanadium ions, V(1) and V(2), via density-functional calculations. We find a relative V(1)-V(2)…
Solid-state batteries (SSBs) can offer a paradigm shift in battery safety and energy density. Yet, the promise hinges on the ability to integrate high-performance electrodes with state-of-the-art solid electrolytes. For example, lithium…
Following detailed analysis of relativistic, QED and mass corrections for helium-like and lithium-like ions with static nuclei for $Z \leq 20$ the domain of applicability of Non-Relativistic QED (NRQED) is localized for ground state energy.…
We present a nonperturbative numerical evaluation of the one-photon electron self energy for hydrogenlike ions with low nuclear charge numbers Z=1 to 5. Our calculation for the 1S state has a numerical uncertainty of 0.8 Hz for hydrogen and…
The motion of an electron in an image field and a blocking electric field is considered in semiclassical approximation. An exact analytical expression is found for the density of the energy spectrum of states. The dependence of spectral…
The large reported $E2$ strength between the $2^+$ ground state and $1^+$ first excited state of $\isotope[8]{Li}$, $B(E2; 2^+ \rightarrow 1^+)= 55(15)\,e^2\fm^4$, presents a puzzle. Unlike in neighboring $A=7\text{--}9$ isotopes, where…