Related papers: The Ionization Conjecture in Hartree-Fock Theory

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…

Bounds are studied for the maximum number, $N_c$, of electrons that can be bound to $K$ atoms of the total nuclear charge $Z$. It is proved that $N_c < \min\{2Z+1, 1.22Z + 3Z^{1/3}\}$ in Schr\"odinger theory. This improves Lieb's bound $N_c…

Hartree-Fock theory is supposed to yield a picture of atomic shells which may or may not be filled according to the atom's position in the periodic table. We prove that shells are always completely filled in an exact Hartree-Fock…

We study the long-time behavior of the 3-dimensional repulsive nonlinear Hartree equation with an external attractive Coulomb potential $-Z/|x|$, which is a nonlinear model for the quantum dynamics of an atom. We show that, after a…

We will give a proof that the maximal excess charge for an atom described by a family of density-matrix-functionals, which includes Hartree-Fock and M\"uller theories, is bounded by an universal constant. We will use the new technique…

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…

The study of the magnetic properties of atoms and nuclei was performed. A linear dependence between the strength of the magnetic field at the nucleus and the effective charge divided by the major quantum number were analyzed and explained.…

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 $Z$.

Hartree-Fock atom in a strong electric static field is considered. It is demonstrated that exchange between outer and inner electrons, taken into account by the so-called Fock term affects strongly the long-range behavior of the inner…

For neutral and positively charged atoms and molecules, we prove the existence of infinitely many Hartree-Fock critical points below the first energy threshold (that is, the lowest energy of the same system with one electron removed). This…

Electron correlation effects play a key role in stabilising two-electron atoms near the critical nuclear charge, representing the smallest charge required to bind two electrons. However, deciphering the importance of these effects relies on…

We study the Hartree-Fock model for pseudorelativistic atoms, that is, atoms where the kinetic energy of the electrons is given by the pseudorelativistic operator \sqrt{(pc)^2+(mc^2)^2}-mc^2. We prove the existence of a Hartree-Fock…

We prove an analytic bound on the excess charge for the Hartree equation in the atomic case.

The Hartree-Fock (HF) approximation has been an important tool for quantum-chemical calculations since its earliest appearance in the late 1920s, and remains the starting point of most single-reference methods in use today. Intuition…

We derive the photoionisation cross section in dipole approximation for many-electron atoms and ions for neutron star magnetic field strengths in the range of 10^7 to 10^9 T. Both bound and continuum states are treated in adiabatic…

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…

By extrapolating the energies of non-relativistic atoms and their ions with up to 3000 electrons within Kohn-Sham density functional theory, we find that the ionization potential remains finite and increases across a row, even as…

It is shown that, in the self-consistent quantum statistical Hartree-Fock approximation, the number of electronic states localized on one nucleus is finite. This result is obtained on the basis of the general electron-nuclear model of…

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

We present a relativistic chiral effective theory for symmetric and asymmetric nuclear matter taken in the Hartree-Fock scheme. The nuclear binding is insured by a background chiral invariant scalar field associated with the radial…