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Lebedev Quadrature
In numerical analysis, Lebedev quadrature, named after Vyacheslav Ivanovich Lebedev, is an approximation to the surface integral of a function over a three-dimensional sphere. The grid is constructed so to have octahedral rotation and inversion symmetry. The number and location of the grid points together with a corresponding set of integration weights are determined by enforcing the exact integration of polynomials (or equivalently, spherical harmonics) up to a given order, leading to a sequence of increasingly dense grids analogous to the one-dimensional Gauss-Legendre scheme. The Lebedev grid is often employed in the numerical evaluation of volume integrals in the spherical coordinate system, where it is combined with a one-dimensional integration scheme for the radial coordinate. Applications of the grid are found in fields such as computational chemistry and neutron transport. Angular integrals The surface integral of a function over the unit sphere, :I = \int \mathrm\Om ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Numerical Analysis
Numerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts. Current growth in computing power has enabled the use of more complex numerical analysis, providing detailed and realistic mathematical models in science and engineering. Examples of numerical analysis include: ordinary differential equations as found in celestial mechanics (predicting the motions of planets, stars and galaxies), numerical linear algebra in data analysis, and stochastic differential equations and Markov chains for simulating living cells in medicine an ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Vyacheslav Ivanovich Lebedev
Vyacheslav Ivanovich Lebedev (russian: Вячеслав Иванович Лебедев) (January 27, 1930 – March 22, 2010) was a Soviet and Russian mathematician, known for his work on numerical analysis. Career Lebedev was a Ph.D. student of Sobolev. He worked at the Kurchatov Institute and Soviet/Russian Academy of Sciences, and taught students at the Moscow State University and Moscow Institute of Physics and Technology. He authored over a hundred papers and several books, most noticeably "Numerical methods in the theory of neutron transport" jointly with Gury Marchuk and "Functional Analysis in Computational Mathematics," based on his lectures. He graduated over 15 Ph.D.'s. Lebedev quadrature has become one of the popular methods of integration on a sphere. Areas of expertise He worked in many areas of computational and applied mathematics, ranging from software development for nuclear reactors modeling to approximation by polynomials, from quadrature on a sphere to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Surface Integral
In mathematics, particularly multivariable calculus, a surface integral is a generalization of multiple integrals to integration over surfaces. It can be thought of as the double integral analogue of the line integral. Given a surface, one may integrate a scalar field (that is, a function of position which returns a scalar as a value) over the surface, or a vector field (that is, a function which returns a vector as value). If a region R is not flat, then it is called a ''surface'' as shown in the illustration. Surface integrals have applications in physics, particularly with the theories of classical electromagnetism. Surface integrals of scalar fields Assume that ''f'' is a scalar, vector, or tensor field defined on a surface ''S''. To find an explicit formula for the surface integral of ''f'' over ''S'', we need to parameterize ''S'' by defining a system of curvilinear coordinates on ''S'', like the latitude and longitude on a sphere. Let such a paramet ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Sphere
A sphere () is a Geometry, geometrical object that is a solid geometry, three-dimensional analogue to a two-dimensional circle. A sphere is the Locus (mathematics), set of points that are all at the same distance from a given point in three-dimensional space.. That given point is the centre (geometry), centre of the sphere, and is the sphere's radius. The earliest known mentions of spheres appear in the work of the Greek mathematics, ancient Greek mathematicians. The sphere is a fundamental object in many fields of mathematics. Spheres and nearly-spherical shapes also appear in nature and industry. Bubble (physics), Bubbles such as soap bubbles take a spherical shape in equilibrium. spherical Earth, The Earth is often approximated as a sphere in geography, and the celestial sphere is an important concept in astronomy. Manufactured items including pressure vessels and most curved mirrors and lenses are based on spheres. Spheres rolling, roll smoothly in any direction, so mos ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Octahedral Symmetry
A regular octahedron has 24 rotational (or orientation-preserving) symmetries, and 48 symmetries altogether. These include transformations that combine a reflection and a rotation. A cube has the same set of symmetries, since it is the polyhedron that is dual to an octahedron. The group of orientation-preserving symmetries is ''S''4, the symmetric group or the group of permutations of four objects, since there is exactly one such symmetry for each permutation of the four diagonals of the cube. Details Chiral and full (or achiral) octahedral symmetry are the discrete point symmetries (or equivalently, symmetries on the sphere) with the largest symmetry groups compatible with translational symmetry. They are among the crystallographic point groups of the cubic crystal system. As the hyperoctahedral group of dimension 3 the full octahedral group is the wreath product S_2 \wr S_3 \simeq S_2^3 \rtimes S_3,and a natural way to identify its elements is as pairs (m, n) wi ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Polynomial
In mathematics, a polynomial is an expression consisting of indeterminates (also called variables) and coefficients, that involves only the operations of addition, subtraction, multiplication, and positive-integer powers of variables. An example of a polynomial of a single indeterminate is . An example with three indeterminates is . Polynomials appear in many areas of mathematics and science. For example, they are used to form polynomial equations, which encode a wide range of problems, from elementary word problems to complicated scientific problems; they are used to define polynomial functions, which appear in settings ranging from basic chemistry and physics to economics and social science; they are used in calculus and numerical analysis to approximate other functions. In advanced mathematics, polynomials are used to construct polynomial rings and algebraic varieties, which are central concepts in algebra and algebraic geometry. Etymology The word ''polynomial'' ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spherical Harmonics
In mathematics and physical science, spherical harmonics are special functions defined on the surface of a sphere. They are often employed in solving partial differential equations in many scientific fields. Since the spherical harmonics form a complete set of orthogonal functions and thus an orthonormal basis, each function defined on the surface of a sphere can be written as a sum of these spherical harmonics. This is similar to periodic functions defined on a circle that can be expressed as a sum of circular functions (sines and cosines) via Fourier series. Like the sines and cosines in Fourier series, the spherical harmonics may be organized by (spatial) angular frequency, as seen in the rows of functions in the illustration on the right. Further, spherical harmonics are basis functions for irreducible representations of SO(3), the group of rotations in three dimensions, and thus play a central role in the group theoretic discussion of SO(3). Spherical harmonics originate ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Gaussian Quadrature
In numerical analysis, a quadrature rule is an approximation of the definite integral of a function, usually stated as a weighted sum of function values at specified points within the domain of integration. (See numerical integration for more on quadrature rules.) An -point Gaussian quadrature rule, named after Carl Friedrich Gauss, is a quadrature rule constructed to yield an exact result for polynomials of degree or less by a suitable choice of the nodes and weights for . The modern formulation using orthogonal polynomials was developed by Carl Gustav Jacobi in 1826. The most common domain of integration for such a rule is taken as , so the rule is stated as :\int_^1 f(x)\,dx \approx \sum_^n w_i f(x_i), which is exact for polynomials of degree or less. This exact rule is known as the Gauss-Legendre quadrature rule. The quadrature rule will only be an accurate approximation to the integral above if is well-approximated by a polynomial of degree or less on . The ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Spherical Coordinate System
In mathematics, a spherical coordinate system is a coordinate system for three-dimensional space where the position of a point is specified by three numbers: the ''radial distance'' of that point from a fixed origin, its ''polar angle'' measured from a fixed zenith direction, and the '' azimuthal angle'' of its orthogonal projection on a reference plane that passes through the origin and is orthogonal to the zenith, measured from a fixed reference direction on that plane. It can be seen as the three-dimensional version of the polar coordinate system. The radial distance is also called the ''radius'' or ''radial coordinate''. The polar angle may be called '' colatitude'', '' zenith angle'', '' normal angle'', or '' inclination angle''. When radius is fixed, the two angular coordinates make a coordinate system on the sphere sometimes called spherical polar coordinates. The use of symbols and the order of the coordinates differs among sources and disciplines. This articl ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Computational Chemistry
Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion ( dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials. Examples of such properties are structure (i.e., the expected positions of the constituent atoms), absolute and relative (interaction) energies, electronic charge density distributions, dipoles and higher multipole moments ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Neutron Transport
Neutron transport (also known as neutronics) is the study of the motions and interactions of neutrons with materials. Nuclear scientists and engineers often need to know where neutrons are in an apparatus, what direction they are going, and how quickly they are moving. It is commonly used to determine the behavior of nuclear reactor cores and experimental or industrial neutron beams. Neutron transport is a type of radiative transport. Background Neutron transport has roots in the Boltzmann equation, which was used in the 1800s to study the kinetic theory of gases. It did not receive large-scale development until the invention of chain-reacting nuclear reactors in the 1940s. As neutron distributions came under detailed scrutiny, elegant approximations and analytic solutions were found in simple geometries. However, as computational power has increased, numerical approaches to neutron transport have become prevalent. Today, with massively parallel computers, neutron transport is ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
Vyacheslav Ivanovich Lebedev
Vyacheslav Ivanovich Lebedev (russian: Вячеслав Иванович Лебедев) (January 27, 1930 – March 22, 2010) was a Soviet and Russian mathematician, known for his work on numerical analysis. Career Lebedev was a Ph.D. student of Sobolev. He worked at the Kurchatov Institute and Soviet/Russian Academy of Sciences, and taught students at the Moscow State University and Moscow Institute of Physics and Technology. He authored over a hundred papers and several books, most noticeably "Numerical methods in the theory of neutron transport" jointly with Gury Marchuk and "Functional Analysis in Computational Mathematics," based on his lectures. He graduated over 15 Ph.D.'s. Lebedev quadrature has become one of the popular methods of integration on a sphere. Areas of expertise He worked in many areas of computational and applied mathematics, ranging from software development for nuclear reactors modeling to approximation by polynomials, from quadrature on a sphere to ... [...More Info...] [...Related Items...] OR: [Wikipedia] [Google] [Baidu] |
