Thomas–Fermi Model
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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 ...
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Mathematical Proceedings Of The Cambridge Philosophical Society
''Mathematical Proceedings of the Cambridge Philosophical Society'' is a mathematical journal published by Cambridge University Press for the Cambridge Philosophical Society. It aims to publish original research papers from a wide range of pure and applied mathematics. The journal, formerly titled ''Proceedings of the Cambridge Philosophical Society'', has been published since 1843. See also *Cambridge Philosophical Society The Cambridge Philosophical Society (CPS) is a scientific society at the University of Cambridge. It was founded in 1819. The name derives from the medieval use of the word philosophy to denote any research undertaken outside the fields of law ... External linksofficial website Academic journals associated with learned and professional societies Cambridge University Press academic journals Mathematics education in the United Kingdom Mathematics journals {{math-journal-stub ...
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Paul Dirac
Paul Adrien Maurice Dirac (; 8 August 1902 – 20 October 1984) was an English theoretical physicist who is regarded as one of the most significant physicists of the 20th century. He was the Lucasian Professor of Mathematics at the University of Cambridge, a professor of physics at Florida State University and the University of Miami, and a 1933 Nobel Prize recipient. Dirac made fundamental contributions to the early development of both quantum mechanics and quantum electrodynamics. Among other discoveries, he formulated the Dirac equation which describes the behaviour of fermions and predicted the existence of antimatter. Dirac shared the 1933 Nobel Prize in Physics with Erwin Schrödinger "for the discovery of new productive forms of atomic theory". He also made significant contributions to the reconciliation of general relativity with quantum mechanics. Dirac was regarded by his friends and colleagues as unusual in character. In a 1926 letter to Paul Ehrenfest, Albert ...
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Pauli Exclusion Principle
In quantum mechanics, the Pauli exclusion principle states that two or more identical particles with half-integer spins (i.e. fermions) cannot occupy the same quantum state within a quantum system simultaneously. This principle was formulated by Austrian physicist Wolfgang Pauli in 1925 for electrons, and later extended to all fermions with his spin–statistics theorem of 1940. In the case of electrons in atoms, it can be stated as follows: it is impossible for two electrons of a poly-electron atom to have the same values of the four quantum numbers: ''n'', the principal quantum number; ', the azimuthal quantum number; ''m'', the magnetic quantum number; and ''ms'', the spin quantum number. For example, if two electrons reside in the same orbital, then their ''n'', ', and ''m'' values are the same; therefore their ''ms'' must be different, and thus the electrons must have opposite half-integer spin projections of 1/2 and −1/2. Particles with an integer spin, or bosons, ...
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Exchange Energy
In chemistry and physics, the exchange interaction (with an exchange energy and exchange term) is a quantum mechanical effect that only occurs between identical particles. Despite sometimes being called an exchange force in an analogy to classical force, it is not a true force as it lacks a force carrier. The effect is due to the wave function of indistinguishable particles being subject to exchange symmetry, that is, either remaining unchanged (symmetric) or changing sign (antisymmetric) when two particles are exchanged. Both bosons and fermions can experience the exchange interaction. For fermions, this interaction is sometimes called Pauli repulsion and is related to the Pauli exclusion principle. For bosons, the exchange interaction takes the form of an effective attraction that causes identical particles to be found closer together, as in Bose–Einstein condensation. The exchange interaction alters the expectation value of the distance when the wave functions of two or m ...
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Thomas–Fermi Equation
In mathematics, the Thomas–Fermi equation for the neutral atom is a second order non-linear ordinary differential equation, named after Llewellyn Thomas and Enrico Fermi, which can be derived by applying the Thomas–Fermi model to atoms. The equation reads :\frac = \frac y^ subject to the boundary conditions :y(0)=1 \quad ; \quad y(+\infty)=0 If y approaches zero as x becomes large, this equation models the charge distribution of a neutral atom as a function of radius x. Solutions where y becomes zero at finite x model positive ions. For solutions where y becomes large and positive as x becomes large, it can be interpreted as a model of a compressed atom, where the charge is squeezed into a smaller space. In this case the atom ends at the value of x for which dy/dx=y/x. Transformations Introducing the transformation z=y/x converts the equation to :\frac\frac\left(x^2\frac\right) - z^=0 This equation is similar to Lane–Emden equation with polytropic index 3/2 except the ...
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Gauss's Law
In physics and electromagnetism, Gauss's law, also known as Gauss's flux theorem, (or sometimes simply called Gauss's theorem) is a law relating the distribution of electric charge to the resulting electric field. In its integral form, it states that the flux of the electric field out of an arbitrary closed surface is proportional to the electric charge enclosed by the surface, irrespective of how that charge is distributed. Even though the law alone is insufficient to determine the electric field across a surface enclosing any charge distribution, this may be possible in cases where symmetry mandates uniformity of the field. Where no such symmetry exists, Gauss's law can be used in its differential form, which states that the divergence of the electric field is proportional to the local density of charge. The law was first formulated by Joseph-Louis Lagrange in 1773, followed by Carl Friedrich Gauss in 1835, both in the context of the attraction of ellipsoids. It is one of ...
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Bohr Radius
The Bohr radius (''a''0) is a physical constant, approximately equal to the most probable distance between the nucleus and the electron in a hydrogen atom in its ground state. It is named after Niels Bohr, due to its role in the Bohr model of an atom. Its value is The number in parenthesis denotes the uncertainty of the last digits. Definition and value The Bohr radius is defined as a_0 = \frac = \frac = \frac , where * \varepsilon_0 is the permittivity of free space, * \hbar is the reduced Planck constant, * m_ is the mass of an electron, * e is the elementary charge, * c is the speed of light in vacuum, and * \alpha is the fine-structure constant. The CODATA value of the Bohr radius (in SI units) is History In the Bohr model for atomic structure, put forward by Niels Bohr in 1913, electrons orbit a central nucleus under electrostatic attraction. The original derivation posited that electrons have orbital angular momentum in integer multiples of the reduced Planck co ...
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Variational Principle
In science and especially in mathematical studies, a variational principle is one that enables a problem to be solved using calculus of variations, which concerns finding functions that optimize the values of quantities that depend on those functions. For example, the problem of determining the shape of a hanging chain suspended at both ends—a catenary—can be solved using variational calculus, and in this case, the variational principle is the following: The solution is a function that minimizes the gravitational potential energy of the chain. Overview Any physical law which can be expressed as a variational principle describes a self-adjoint operator. These expressions are also called Hermitian. Such an expression describes an invariant under a Hermitian transformation. History Felix Klein's Erlangen program attempted to identify such invariants under a group of transformations. In what is referred to in physics as Noether's theorem, the Poincaré group of transformations ...
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Lagrange Multiplier
In mathematical optimization, the method of Lagrange multipliers is a strategy for finding the local maxima and minima of a function subject to equality constraints (i.e., subject to the condition that one or more equations have to be satisfied exactly by the chosen values of the variables). It is named after the mathematician Joseph-Louis Lagrange. The basic idea is to convert a constrained problem into a form such that the derivative test of an unconstrained problem can still be applied. The relationship between the gradient of the function and gradients of the constraints rather naturally leads to a reformulation of the original problem, known as the Lagrangian function. The method can be summarized as follows: in order to find the maximum or minimum of a function f(x) subjected to the equality constraint g(x) = 0, form the Lagrangian function :\mathcal(x, \lambda) = f(x) + \lambda g(x) and find the stationary points of \mathcal considered as a function of x and the Lagrange mu ...
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Elementary Charge
The elementary charge, usually denoted by is the electric charge carried by a single proton or, equivalently, the magnitude of the negative electric charge carried by a single electron, which has charge −1 . This elementary charge is a fundamental physical constant. In the SI system of units, the value of the elementary charge is exactly defined as e =  coulombs, or 160.2176634 zeptocoulombs (zC). Since the 2019 redefinition of SI base units, the seven SI base units are defined by seven fundamental physical constants, of which the elementary charge is one. In the centimetre–gram–second system of units (CGS), the corresponding quantity is . Robert A. Millikan and Harvey Fletcher's oil drop experiment first directly measured the magnitude of the elementary charge in 1909, differing from the modern accepted value by just 0.6%. Under assumptions of the then-disputed atomic theory, the elementary charge had also been indirectly inferred to ~3% accuracy from bla ...
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Atomic Nucleus
The atomic nucleus is the small, dense region consisting of protons and neutrons at the center of an atom, discovered in 1911 by Ernest Rutherford based on the 1909 Geiger–Marsden gold foil experiment. After the discovery of the neutron in 1932, models for a nucleus composed of protons and neutrons were quickly developed by Dmitri Ivanenko and Werner Heisenberg. An atom is composed of a positively charged nucleus, with a cloud of negatively charged electrons surrounding it, bound together by electrostatic force. Almost all of the mass of an atom is located in the nucleus, with a very small contribution from the electron cloud. Protons and neutrons are bound together to form a nucleus by the nuclear force. The diameter of the nucleus is in the range of () for hydrogen (the diameter of a single proton) to about for uranium. These dimensions are much smaller than the diameter of the atom itself (nucleus + electron cloud), by a factor of about 26,634 (uranium atomic radiu ...
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