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Thomas–Fermi model

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Thomas–Fermi model

primitive quantum mechanical model of electronic structure

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About Thomas–Fermi model

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 developed semiclassically shortly after the introduction of the Schrödinger equation. It stands separate from wave function theory as being formulated in terms of the electronic density alone and as such is viewed as a precursor to modern density functional theory. The Thomas–Fermi model is correct only in the limit of an infinite nuclear charge. Using the approximation for realistic systems yields poor quantitative predictions, even failing to reproduce some general features of the density such as shell structure in atoms and Friedel oscillations in solids. It has, however, found modern applications in many fields through the ability to extract qualitative trends analytically and with the ease at which the model can be solved. The kinetic energy expression of Thomas–Fermi theory is also used as a component in more sophisticated density approximation to the kinetic energy within modern orbital-free density functional theory.

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