Related papers: Electron Charge Density: A Clue from Quantum Chemi…
From non-linear theory of electromagnetism, suggested in (physics/9801031), follows that non-relativistic equation for scalar potential of electron in the field of nuclei is equivalent to respective Schr\"odinger equation. For mass and…
A linearly coupled chain of spin-polarized quantum dots is investigated under the condition that the number of electrons is equal to or less than the number of the dots. The chemical potential of the system, $\mu_{N}=E(N)-E(N-1)$,…
Electron charge density is a fundamental physical quantity, determining various properties of matter. In this study, we have proposed a deep-learning model for accurate charge density prediction. Our model naturally preserves physical…
The density of an atom in a state of well-defined angular momentum has a specific finite spherical harmonic content, without and with interactions. Approximate single-particle schemes, such as the Hartree, Hartree-Fock, and Local Density…
The Schr\"odinger theory of electrons in an external electromagnetic field can be described from the perspective of the individual electron via the `Quantal Newtonian' laws (or differential virial theorems). These laws are in terms of…
Electron scattering is a tool that can provide relatively clean view of the nuclear structure in both ground and excited states, as it depends on the well-known electromagnetic interaction. But since the common expressions for its cross…
In quantum chemistry calculations, the correlation energy is defined as the difference between the Hartree-Fock limit energy and the exact solution of the nonrelativistic Schrodinger equation. With this definition, the electron correlation…
Sophisticated high-energy and large momentum-transfer scattering experiments combined with ab-initio calculations can reveal the short-distance behavior of nucleon pairs in nuclei. On an opposite energy and resolution scale, elastic…
Electronic charge transfer at the atomic scale can reveal fundamental information about chemical bonding, but is far more challenging to directly image than the atomic structure. The charge density is dominated by the atomic nuclei, with…
We prove that the electron densities of electronic eigenfunctions of atoms and molecules are smooth away from the nuclei.
By leveraging the fundamental doctrine of The Quantum Theory of Atoms in Molecules---the partitioning of the electron charge density ($\rho$) into regions bounded by surfaces of zero flux---we map the gradient field of $\rho$ onto a 2D…
Shadowing is a quantum phenomenon leading to a non-additivity of electroweak cross sections on nucleons bound in a nucleus. It occurs due to destructive interference of amplitudes on different nucleons. Although the current experimental…
A Fourier-Bessel analysis is used to fit charge and magnetization densities to data for the nucleon Sachs form factors. The neutron and proton magnetization densities are very similar, but the proton charge density is significantly softer.…
We consider the quantum field theory for a scalar model of the electromagnetic field interacting with a system of two-level atoms. In this setting, we show that it is possible to uniquely determine the density of atoms from measurements of…
We propose a method to extract nuclear charge distributions from elastic electron scattering data based upon a mean field approach. The nuclear charge distributions are generated by solving the Schroedinger equation with a mean-field…
Two electrons at the threshold of ionization represent a severe test case for electronic structure theory. A pseudospectral method yields a very accurate density of the two-electron ion with nuclear charge close to the critical value.…
Two of the most widely used electronic structure theory methods, namely Hartree-Fock and Kohn-Sham density functional theory, both requires the iterative solution of a set of Schr\"odinger-like equations. The speed of convergence of such…
We investigate the possibility that some nuclei show density distributions with a depletion in the center, a semi-bubble structure, by using a Hartree-Fock plus Bardeen-Cooper-Schrieffer approach. We separately study the proton, neutron and…
We investigate the distribution of the electron density and the potential in a quantum wire coupled to reservoirs, treating this structure as a unified quantum system and taking into account the Coulomb interaction of electrons. The…
Electron scattering provides a powerful tool to determine charge distributions and transition densities of nuclei. This tool will soon be available for short-lived neutron-rich nuclei. [Purpose] Beyond mean-field methods have been…