Atoms and molecules in a confined environment

Atoms and Molecules

An atom is a system formed by a pack of electrically charged particles Q called nucleus and N identical particles of charge q − . Molecules are systems with several nuclei which may not necessarily be identical . In almost all matter, the nuclei are conglomerates of neutrons and protons and the N remaining particles are electrons. Other atomic systems will be described in the exotic atoms section.

Molecules, Atoms, and Nuclei

Atoms in boxes: from confined atoms to electron-atom scattering

We show that both confined atoms and electron-atom scattering can be described by a unified basis set method. The central idea behind this method is to place the atom inside a hard potential sphere, enforced by a standard Slater type basis set multiplied by a cutoff factor. For confined atoms, where the wall is placed close to the atomic nucleus, we show how the energy of the highest occupied a...

A dilute mixture of atoms and molecules

We study a dilute gas with two species of Fermionic atoms of unequal concentrations, interacting via a short-range interaction with one deeply bound state. We study the properties of this system under the mean-field approximation. We obtain the effective interaction among the fermions and bosons, and discuss the collective modes of the system. PACS numbers: 03.75.Fi, 67.60.-g Recent experimenta...

Entanglement Computation in Atoms and Molecules

In this paper, a method for computing entanglement of electrons in atoms and molecules is described. The importance of entanglement computation for Quantum Computers and for Biology is highlighted and the existing models’ pros and cons are illustrated. A description of the algorithms follows, with some considerations about the execution times and how they scale increasing the system’s Hilbert s...