The uniform electron gas

PF Loos, PMW Gill - Wiley Interdisciplinary Reviews …, 2016 - Wiley Online Library
The uniform electron gas or UEG (also known as jellium) is one of the most fundamental
models in condensed‐matter physics and the cornerstone of the most popular …

Distributed Gaussian orbitals for the description of electrons in an external potential

L Brooke, A Diaz-Marquez, S Evangelisti… - Journal of Molecular …, 2018 - Springer
In this work, we demonstrate the viability of using distributed Gaussian orbitals as a basis set
for the calculation of the properties of electrons subjected to an external potential. We …

Uniform electron gases. III. Low-density gases on three-dimensional spheres

D Agboola, AL Knol, PMW Gill, PF Loos - The Journal of Chemical …, 2015 - pubs.aip.org
By combining variational Monte Carlo (VMC) and complete-basis-set limit Hartree-Fock (HF)
calculations, we have obtained near-exact correlation energies for low-density same-spin …

One-electron densities of freely rotating Wigner molecules

J Cioslowski - Journal of Physics B: Atomic, Molecular and …, 2017 - iopscience.iop.org
A formalism enabling computation of the one-particle density of a freely rotating assembly of
identical particles that vibrate about their equilibrium positions with amplitudes much smaller …

An introduction to quantum chemistry

DC Thompson, JI Rodríguez - Advances in Quantum Chemical Topology …, 2023 - Elsevier
The field of quantum chemistry is introduced. The equations governing quantum chemical
phenomena are presented, and the solution to these equations are described: first, in the …

Homogeneous electron gas in arbitrary dimensions

R Schlesier, CL Benavides-Riveros, MAL Marques - Physical Review B, 2020 - APS
The homogeneous electron gas is one of the most studied model systems in condensed-
matter physics. It is also the basis of the large majority of approximations to the functionals of …

Wigner systems from first principles

ME Azor - 2022 - theses.hal.science
This thesis aims to study Wigner localization at very low densities. Almost a century ago,
Eugene Wigner predicted that a system consisting of interacting electrons in a neutralizing …

[PDF][PDF] Functionals, Integrals, Spheres & Cusps

PF Loos - 2018 - hal.science
This memoir concerns the research activities I have been involved in after the end of my
PhD. In a nutshell, my PhD work deals with excited electronic states of macromolecules …