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Lieb–Oxford Inequality
In quantum chemistry and physics, the Lieb–Oxford inequality provides a lower bound for the indirect part of the Coulomb energy of a quantum mechanical system. It is named after Elliott H. Lieb and Stephen Oxford. The inequality is of importance for density functional theory and plays a role in the proof of stability of matter. Introduction In classical physics, one can calculate the Coulomb energy of a configuration of charged particles in the following way. First, calculate the charge density , where is a function of the coordinates . Second, calculate the Coulomb energy by integrating: : \frac\int_\int_\frac \, \mathrm^3 x \, \mathrm^3 y. In other words, for each pair of points and , this expression calculates the energy related to the fact that the charge at is attracted to or repelled from the charge at . The factor of corrects for double-counting the pairs of points. In quantum mechanics, it is ''also'' possible to calculate a charge density , which is a func ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Quantum Chemistry
Quantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of Molecule, molecules, Material, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed Wave function, wave functions as well as to observable properties such as structures, spectra, and Thermodynamics, thermodynamic properties. Quantum chemistry is also concerned with the computation of quantum effects on molecular dynamics and chemical kinetics. Chemists rely heavily on spectroscopy through which information regarding the Quantization (physics), quantization of energy on a molecular scale can be obtained ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Density Functional Theory
Density functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals - that is, functions that accept a function as input and output a single real number. In the case of DFT, these are functionals of the spatially dependent electron density. DFT is among the most popular and versatile methods available in condensed-matter physics, computational physics, and computational chemistry. DFT has been very popular for calculations in solid-state physics since the 1970s. However, DFT was not considered accurate enough for calculations in quantum chemistry until the 1990s, when the approximations used in the theory were greatly refined to better m ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Cambridge University Press
Cambridge University Press was the university press of the University of Cambridge. Granted a letters patent by King Henry VIII in 1534, it was the oldest university press in the world. Cambridge University Press merged with Cambridge Assessment to form Cambridge University Press and Assessment under Queen Elizabeth II's approval in August 2021. With a global sales presence, publishing hubs, and offices in more than 40 countries, it published over 50,000 titles by authors from over 100 countries. Its publications include more than 420 academic journals, monographs, reference works, school and university textbooks, and English language teaching and learning publications. It also published Bibles, runs a bookshop in Cambridge, sells through Amazon, and has a conference venues business in Cambridge at the Pitt Building and the Sir Geoffrey Cass Sports and Social Centre. It also served as the King's Printer. Cambridge University Press, as part of the University of Cambridge, was a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Annales Henri Poincaré
The ''Annales Henri Poincaré'' (''A Journal of Theoretical and Mathematical Physics'') is a peer-reviewed scientific journal which collects and publishes original research papers in the field of theoretical and mathematical physics. The emphasis is on "analytical theoretical and mathematical physics" in a broad sense. The journal is named in honor of Henri Poincaré and it succeeds two former journals, ''Annales de l'Institut Henri Poincaré, physique théorique'' and ''Helvetica Physical Acta'' (). It is published by Birkhäuser Verlag. Its first Chief Editor was Vincent Rivasseau, followed by Krzysztof Gawedzki, and the current Chief Editor is Claude-Alain Pillet.Home page with relevant links, publisher, subjects covered, and bibliographic data. Springer. 2022-01 [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gradient
In vector calculus, the gradient of a scalar-valued differentiable function f of several variables is the vector field (or vector-valued function) \nabla f whose value at a point p gives the direction and the rate of fastest increase. The gradient transforms like a vector under change of basis of the space of variables of f. If the gradient of a function is non-zero at a point p, the direction of the gradient is the direction in which the function increases most quickly from p, and the magnitude of the gradient is the rate of increase in that direction, the greatest absolute directional derivative. Further, a point where the gradient is the zero vector is known as a stationary point. The gradient thus plays a fundamental role in optimization theory, where it is used to minimize a function by gradient descent. In coordinate-free terms, the gradient of a function f(\mathbf) may be defined by: df=\nabla f \cdot d\mathbf where df is the total infinitesimal change in f for a ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Laplacian
In mathematics, the Laplace operator or Laplacian is a differential operator given by the divergence of the gradient of a scalar function on Euclidean space. It is usually denoted by the symbols \nabla\cdot\nabla, \nabla^2 (where \nabla is the nabla operator), or \Delta. In a Cartesian coordinate system, the Laplacian is given by the sum of second partial derivatives of the function with respect to each independent variable. In other coordinate systems, such as cylindrical and spherical coordinates, the Laplacian also has a useful form. Informally, the Laplacian of a function at a point measures by how much the average value of over small spheres or balls centered at deviates from . The Laplace operator is named after the French mathematician Pierre-Simon de Laplace (1749–1827), who first applied the operator to the study of celestial mechanics: the Laplacian of the gravitational potential due to a given mass density distribution is a constant multiple of that de ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
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, titled ''Proceedings of the Cambridge Philosophical Society'' before 1975, has been published since 1843. Abstracting and indexing The journal is abstracted and indexed in *MathSciNet *Science Citation Index Expanded *Scopus *ZbMATH Open 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 References Academic journals associated with learned and professional societies Cambridge University Press academic journals Mathematics e ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Fermions
In particle physics, a fermion is a subatomic particle that follows Fermi–Dirac statistics. Fermions have a half-integer spin ( spin , spin , etc.) and obey the Pauli exclusion principle. These particles include all quarks and leptons and all composite particles made of an odd number of these, such as all baryons and many atoms and nuclei. Fermions differ from bosons, which obey Bose–Einstein statistics. Some fermions are elementary particles (such as electrons), and some are composite particles (such as protons). For example, according to the spin-statistics theorem in relativistic quantum field theory, particles with integer spin are bosons. In contrast, particles with half-integer spin are fermions. In addition to the spin characteristic, fermions have another specific property: they possess conserved baryon or lepton quantum numbers. Therefore, what is usually referred to as the spin-statistics relation is, in fact, a spin statistics-quantum number relation. As ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Paul Dirac
Paul Adrien Maurice Dirac ( ; 8 August 1902 – 20 October 1984) was an English mathematician and Theoretical physics, theoretical physicist who is considered to be one of the founders of quantum mechanics. Dirac laid the foundations for both quantum electrodynamics and quantum field theory. He was the Lucasian Professor of Mathematics at the University of Cambridge and a professor of physics at Florida State University. Dirac shared the 1933 Nobel Prize in Physics with Erwin Schrödinger for "the discovery of new productive forms of atomic theory". Dirac graduated from the University of Bristol with a first class honours Bachelor of Science degree in electrical engineering in 1921, and a first class honours Bachelor of Arts degree in mathematics in 1923. Dirac then graduated from the University of Cambridge with a PhD in physics in 1926, writing the first ever thesis on quantum mechanics. Dirac made fundamental contributions to the early development of both quantum mechanic ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Molecular Physics (journal)
''Molecular Physics'' is a peer-reviewed scientific journal covering research on the interface between chemistry and physics, in particular chemical physics and physical chemistry. It covers both theoretical and experimental molecular science, including electronic structure, molecular dynamics, spectroscopy, reaction kinetics, statistical mechanics, condensed matter and surface science. The journal was established in 1958 and is published by Taylor & Francis. According to the ''Journal Citation Reports'', the journal has a 2021 impact factor of 1.937. The current editor-in-chief is Professor George Jackson (Imperial College London). A reprint of the first editorial and a full list of editors since its establishment can be found in the issue celebrating 50 years of the journal. Notable current and former editors * Christopher Longuet-Higgins (Founding Editor) * Joan van der Waals (Founding Editor) * John Shipley Rowlinson * A. David Buckingham * Lawrence D. Barron * Mart ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Lane–Emden Equation
In astrophysics, the Lane–Emden equation is a dimensionless form of Poisson's equation for the gravitational potential of a Newtonian self-gravitating, spherically symmetric, polytropic fluid. It is named after astrophysicists Jonathan Homer Lane and Robert Emden. The equation reads where \xi is a dimensionless radius and \theta is related to the density, and thus the pressure, by \rho=\rho_c\theta^n for central density \rho_c. The index n is the polytropic index that appears in the polytropic equation of state, P = K \rho^\, where P and \rho are the pressure and density, respectively, and K is a constant of proportionality. The standard boundary conditions are \theta(0)=1 and \theta'(0)=0. Solutions thus describe the run of pressure and density with radius and are known as polytropes of index n. If an isothermal fluid (polytropic index tends to infinity) is used instead of a polytropic fluid, one obtains the Emden–Chandrasekhar equation. Applications Physically, hydro ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Calculus Of Variations
The calculus of variations (or variational calculus) is a field of mathematical analysis that uses variations, which are small changes in Function (mathematics), functions and functional (mathematics), functionals, to find maxima and minima of functionals: Map (mathematics), mappings from a set of Function (mathematics), functions to the real numbers. Functionals are often expressed as definite integrals involving functions and their derivatives. Functions that maximize or minimize functionals may be found using the Euler–Lagrange equation of the calculus of variations. A simple example of such a problem is to find the curve of shortest length connecting two points. If there are no constraints, the solution is a straight line between the points. However, if the curve is constrained to lie on a surface in space, then the solution is less obvious, and possibly many solutions may exist. Such solutions are known as ''geodesics''. A related problem is posed by Fermat's principle: li ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
