The Thomas–Fermi (TF) model, named after Llewellyn Thomas and Enrico Fermi, is a quantum mechanical theory for the electronic structure of many-body systems...

equations. Although density functional theory has its roots in the Thomas–Fermi model for the electronic structure of materials, DFT was first put on a...

Thomas–Fermi screening is a theoretical approach to calculate the effects of electric field screening by electrons in a solid. It is a special case of...

Llewellyn Thomas and Enrico Fermi, which can be derived by applying the Thomas–Fermi model to atoms. The equation reads d 2 y d x 2 = 1 x y 3 / 2 {\displaystyle...

A Fermi gas is an idealized model, an ensemble of many non-interacting fermions. Fermions are particles that obey Fermi–Dirac statistics, like electrons...

The Thomas–Fermi model is a statistical model for electron-ion interactions, which later formed the basis of density functional theory. The Thomas collapse...

Enrico Fermi (Italian: [enˈriːko ˈfermi]; 29 September 1901 – 28 November 1954) was an Italian and naturalized American physicist, renowned for being the...

empirical rule although with some theoretical justification, based on the Thomas–Fermi model of the atom as a many-electron quantum-mechanical system. The valence...

to the Thomas–Fermi model. Orbital-free density functional theory is, at present, less accurate than Kohn–Sham density functional theory models, but it...

and further post-Hartree–Fock methods. The Thomas–Fermi model was developed independently by Thomas and Fermi in 1927. This was the first attempt to describe...

value. The isosurface of states with energy equal to the Fermi level is known as the Fermi surface. Energy band gaps can be classified using the wavevectors...

Fermi–Ulam model Fermi–Pustyl'nikov model, a model of the Fermi acceleration mechanism Fermi glow Fermi ball Fermi sea Fermi transition Fermi–Walker transport...

many-body Schrödinger equation, in particular Hartree-Fock theory and the Thomas-Fermi model of atoms. They provided the first rigorous proof that the latter furnishes...

Density functional theory Time-dependent density functional theory Thomas–Fermi model Orbital-free density functional theory Adiabatic connection fluctuation...

of Fermi's statistical model of atomic structure (now known as the Thomas–Fermi model, due to its contemporaneous description by Llewellyn Thomas). In...

They provided a lower bound on the quantum energy in terms of the Thomas-Fermi model, which is stable due to a theorem of Teller. The proof used a lower...

theory similar to Lewis' only his model assumed complete transfers of electrons between atoms, and was thus a model of ionic bonding. Both Lewis and Kossel...

Madelung rule (that orbitals fill in order of increasing n + ℓ) from the Thomas–Fermi model; the complete rule was derived from a similar potential in 1971 by...

made by applying the density functional theory (DFT) or Hartree–Fock (HF) models to the Schrödinger equation. Molecular orbital theory and valence bond theory...

correlation" strictly spoken encompasses both the Coulomb correlation and Fermi correlation, and the latter is an effect of electron exchange, which is...

f}{\partial \rho _{\alpha _{1}\alpha _{2}\cdots \alpha _{i}}}}\ .} The Thomas–Fermi model of 1927 used a kinetic energy functional for a noninteracting uniform...

Metropolis–Hastings algorithm Wavefunction optimization Monte Carlo molecular modeling Quantum chemistry computer programs Numerical analytic continuation "Functional...

(1996). S. P. Karna and A. T. Yeates (ed.). Theoretical and Computational Modeling of NLO and Electronic Materials. Washington, D.C.: ACS Press. p. 145–....

structure Nearly-free electron model Bloch's theorems Kronig-Penney model Fermi surface Wannier function Hubbard model t-J model Effective mass Anderson's...

Healy; James J. P. Stewart (1985). "Development and use of quantum molecular models. 75. Comparative tests of theoretical procedures for studying chemical reactions"...

Rodney J. Bartlett (1982). "A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples". The Journal of Chemical Physics...

the molecular orbital φ1 is nearly doubly occupied. The Hartree–Fock (HF) model assumes that it is doubly occupied, which leads to a total wavefunction...

valence shell of the undiscovered transuranic elements. Using the Thomas–Fermi model, she predicted that they would form a new series similar to the rare...

separation) The electron gas dielectric function in the simplest Thomas–Fermi screening model for a wave vector q {\displaystyle q} is ϵ ( q ) = 1 + λ 2 /...

Fermi–Dirac statistics is a type of quantum statistics that applies to the physics of a system consisting of many non-interacting, identical particles...