Related papers: The maximal excess charge in M\"uller density-matr…
We demonstrate that the charge distributions in Hubbard-model representations of transition metal oxide heterojucntions can be described by a Thomas-Fermi theory in which the energy is approximated as the sum of the electrostatic energy and…
In the framework of a recently developed alpha-cluster model a nucleus is represented as a core (alpha-cluster liquid drop with dissolved excess neutron pairs in it) and a nuclear molecule on its surface. From analysis of experimental…
Developing a theory that can describe everything in the universe is of great interest, and is closely relevant to M-theory, neutrino oscillation and charge-parity (CP) violation. Although M-theory is claimed as a grand unified theory, it…
It is shown that the Hartree-plus-exchange-correlation density functional potential for an integer N-electron system differs by a constant form the corresponding potential for an (N-1)-electron system if the densities are determined from…
The Feynman, Metropolis and Teller treatment of compressed atoms is extended to the relativistic regimes. Each atomic configuration is confined by a Wigner-Seitz cell and is characterized by a positive electron Fermi energy. The…
Intramolecular electron transfer capability of all metal aromatic and anti-aromatic aluminum cluster compounds is studied in terms of density functional theory based global and local reactivity descriptors. This study will provide important…
We present a general multi-component density functional theory in which electrons and nuclei are treated completely quantum mechanically, without the use of a Born-Oppenheimer approximation. The two fundamental quantities in terms of which…
Although Marcus theory is widely used to describe charge transfer in molecular systems, in its usual form it is restricted to transfer from one molecule to another. If a charge is delocalised across multiple donor molecules, this approach…
We present a cluster-based density-functional approach to model charge transport through molecular and atomic contacts. The electronic structure of the contacts is determined in the framework of density functional theory, and the parameters…
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 show an atom of atomic number $Z$ described by the time-dependent Thomas-Fermi equation or the Vlasov equation cannot bind more than $4Z$ electrons.
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…
Based on the Thomas-Fermi approach, we describe and distinguish the electron distributions around extended nuclear cores: (i) in the case that cores are neutral for electrons bound by protons inside cores and proton and electron numbers are…
The equation of state for neutron stars in a wide-density range at zero temperature is constructed. The chiral quark-meson coupling model within relativistic Hartree-Fock approximation is adopted for uniform nuclear matter. The coupling…
In the framework of unitary Glauber approximation for particle-atom scattering, we develop the general formalism of the Moliere-Fano multiple scattering theory (M-F theory) on the basis of reconstruction of the generalized optical theorem…
It is established within the Thomas -- Fermi model that a bound state of a proton with a heavy atom should exist. On the one hand, the electrons of the atom screen the proton's field. This decreases the repulsion force between the proton…
Since the discovery that the ratio of inclusive charged lepton (per-nucleon) cross sections from a nucleus A to the deuteron is not unity - even in deep inelastic scattering kinematics - a great deal of experimental and theoretical effort…
The relativistic effective mass $M^*$, and Fermi momentum, $k_F$, are important ingredients in the determination of the nuclear equation of state, but they have rarely been extracted from experimental data below saturation density where…
We analyze the effect of increasing charge density on the Fixed Node Errors in Diffusion Monte Carlo by comparing FN-DMC calculations of the total ground state energy on a 4 electron system done with a Hartree-Fock based trial wave function…
A new finite-range representation of the JLM effective nucleon-nucleon interaction is suggested based on the CDM3Y density dependent functional and M3Y-Paris interaction. The density dependence has been carefully adjusted at each energy so…