Category
page 1Density functional theory
density functional theory
computational quantum mechanical modelling method to investigate the electronic structure
electron density
probability density of electrons being somewhere
Thomas–Fermi model
primitive quantum mechanical model of electronic structure
Kohn–Sham equations
one-electron Schrödinger equation of a fictitious system
local-density approximation
in quantum-mechanical density functional theory
jellium
Jellium, also known as the uniform electron gas (UEG) or homogeneous electron gas (HEG), is a quantum mechanical model of interacting free electrons in a solid where the complementary positive charges are not atomic nuclei but instead an idealized background of uniform positive charge density. This model allows one to focus on the effects in solids that occur due to the quantum nature of electrons and their mutual repulsive interactions (due to like charge) without explicit introduction of the atomic lattice and structure making up a real material. Jellium is often used in solid-state physics
time-dependent density functional theory
quantum mechanical theory to investigate the properties and dynamics of many-body systems in the presence of time-dependent potentials