相关论文: A short proof of the ionization conjecture in M\"u…

We consider an atom described by M\"uller theory, which is similar to Hartree-Fock theory, but with a modified exchange term. We prove that a nucleus of charge Z can bind at most Z+C electrons, where C is a universal constant. Our proof…

We review some results on the ionization conjecture, which says that a neutral atom can bind at most one or two extra electrons.

We prove that in Thomas-Fermi-Dirac-von Weizs\"acker theory, a nucleus of charge $Z>0$ can bind at most $Z+C$ electrons, where $C$ is a universal constant. This result is obtained through a comparison with Thomas-Fermi theory which, as a…

We give a necessary and sufficient condition for the existence of molecules in M\"uller theory. Furthermore, we show that if a system is stable in Born-Oppenheimer approximation, then the bound on the positive excess charge $ Z-N \le…

We consider a molecule described by the Hartree-Fock model without the exchange term. We prove that nuclei of total charge $Z$ can bind at most $Z+C$ electrons, where $C$ is a constant independent of $Z$.

We prove that the maximum number $N_c$ of non-relativistic electrons that a nucleus of charge $Z$ can bind is less than $1.22Z+3Z^{1/3}$. This improves Lieb's upper bound $N_c<2Z+1$ [{\it Phys. Rev. A} {\bf 29}, 3018-3028 (1984)] when $Z\ge…

While it is well-known experimentally that a neutral atom can bind at most one or two extra electrons, deriving this fact rigorously from first principles of quantum mechanics remains a very challenging problem, often referred to as the…

We prove the ionization conjecture within the Hartree-Fock theory of atoms. More precisely, we prove that, if the nuclear charge is allowed to tend to infinity, the maximal negative ionization charge and the ionization energy of atoms…

This paper establishes new bounds on the maximum number of electrons $ N_c(Z) $ that an atom with nuclear charge $Z$ can bind. Specifically, we show that \begin{equation*} N_c(Z) < 1.1185Z + O(Z^{1/3}) \end{equation*} with an explicit bound…

We prove within the Hartree-Fock theory of pseudo-relativistic atoms that the maximal negative ionization charge and the ionization energy of an atom remain bounded independently of the nuclear charge Z and the fine structure constant…

We consider a multi-polaron model obtained by coupling the many-body Schr\"odinger equation for N interacting electrons with the energy functional of a mean-field crystal with a localized defect, obtaining a highly non linear many-body…

This work theoretically addresses the trapping an ionized atom with a single valence electron by means of lasers, analyzing qualitatively and quantitatively the consequences of the net charge of the particle. In our model, the coupling…

We consider the Brown--Ravenhall model of a relativistic atom with N electrons and a nucleus of charge Z and prove the existence of an infinite number of discrete eigenvalues for N <= Z. As an intermediate result we prove a HVZ-type theorem…

We study the spectral properties of minimizers of the M\"uller functional for atoms and molecules with $N$ electrons and total nuclear charge $Z$. We prove that under some suitable assumptions on $Z$ and $N$, the $k$-th eigenvalue of a…

The strong Scott conjecture about the electron density at a distance 1/Z from an atomic nucleus of charge $Z$ and its generalization for molecules are proved. The density, suitably scaled, converges to an explicit limiting density as $Z \to…

We consider a one-dimensional model for many-electron atoms in strong magnetic fields in which the Coulomb potential and interactions are replaced by one-dimensional regularizations associated with the lowest Landau level. For this model we…

A minimal model of ionic aggregation in concentrated ZnCl$_2$ is developed, guided by molecular dynamics simulations with a machine-learned potential. It explicitly incorporates solvent-site depletion, correlated chloride binding, and…

Neutral molecules with sufficiently large dipole moments can bind electrons in diffuse nonvalence orbitals with most of their charge density far from the nuclei, forming so-called dipole-bound anions. Because long-range correlation effects…

Based on classical nucleation theory, we propose a couple of theoretical models for the nucleation of polymer crystallization, i.e. one for a single chain system (Model S) and the other for a multi-chain system (Model M). In these models,…

In the Nelson model particles interact through a scalar massless field. For hydrogen-like atoms there is a nucleus of infinite mass and charge $Ze$, $Z > 0$, fixed at the origin and an electron of mass $m$ and charge $e$. This system forms…