Divide-and-conquer eigenvalue algorithmDivide-and-conquer eigenvalue algorithms are a class of eigenvalue algorithms for Hermitian or real symmetric matrices that have recently (circa 1990s) become competitive in terms of stability and efficiency with more traditional algorithms such as the QR algorithm. The basic concept behind these algorithms is the divide-and-conquer approach from computer science. An eigenvalue problem is divided into two problems of roughly half the size, each of these are solved recursively, and the eigenvalues of the original problem are computed from the results of these smaller problems.
LinearizationIn mathematics, linearization is finding the linear approximation to a function at a given point. The linear approximation of a function is the first order Taylor expansion around the point of interest. In the study of dynamical systems, linearization is a method for assessing the local stability of an equilibrium point of a system of nonlinear differential equations or discrete dynamical systems. This method is used in fields such as engineering, physics, economics, and ecology.
Generalized eigenvectorIn linear algebra, a generalized eigenvector of an matrix is a vector which satisfies certain criteria which are more relaxed than those for an (ordinary) eigenvector. Let be an -dimensional vector space and let be the matrix representation of a linear map from to with respect to some ordered basis. There may not always exist a full set of linearly independent eigenvectors of that form a complete basis for . That is, the matrix may not be diagonalizable.
Change of basisIn mathematics, an ordered basis of a vector space of finite dimension n allows representing uniquely any element of the vector space by a coordinate vector, which is a sequence of n scalars called coordinates. If two different bases are considered, the coordinate vector that represents a vector v on one basis is, in general, different from the coordinate vector that represents v on the other basis. A change of basis consists of converting every assertion expressed in terms of coordinates relative to one basis into an assertion expressed in terms of coordinates relative to the other basis.
Spectral theoremIn mathematics, particularly linear algebra and functional analysis, a spectral theorem is a result about when a linear operator or matrix can be diagonalized (that is, represented as a diagonal matrix in some basis). This is extremely useful because computations involving a diagonalizable matrix can often be reduced to much simpler computations involving the corresponding diagonal matrix. The concept of diagonalization is relatively straightforward for operators on finite-dimensional vector spaces but requires some modification for operators on infinite-dimensional spaces.
Symmetric matrixIn linear algebra, a symmetric matrix is a square matrix that is equal to its transpose. Formally, Because equal matrices have equal dimensions, only square matrices can be symmetric. The entries of a symmetric matrix are symmetric with respect to the main diagonal. So if denotes the entry in the th row and th column then for all indices and Every square diagonal matrix is symmetric, since all off-diagonal elements are zero. Similarly in characteristic different from 2, each diagonal element of a skew-symmetric matrix must be zero, since each is its own negative.
Fock matrixIn the Hartree–Fock method of quantum mechanics, the Fock matrix is a matrix approximating the single-electron energy operator of a given quantum system in a given set of basis vectors. It is most often formed in computational chemistry when attempting to solve the Roothaan equations for an atomic or molecular system. The Fock matrix is actually an approximation to the true Hamiltonian operator of the quantum system. It includes the effects of electron-electron repulsion only in an average way.
Discrete Laplace operatorIn mathematics, the discrete Laplace operator is an analog of the continuous Laplace operator, defined so that it has meaning on a graph or a discrete grid. For the case of a finite-dimensional graph (having a finite number of edges and vertices), the discrete Laplace operator is more commonly called the Laplacian matrix. The discrete Laplace operator occurs in physics problems such as the Ising model and loop quantum gravity, as well as in the study of discrete dynamical systems.
Laplacian matrixIn the mathematical field of graph theory, the Laplacian matrix, also called the graph Laplacian, admittance matrix, Kirchhoff matrix or discrete Laplacian, is a matrix representation of a graph. Named after Pierre-Simon Laplace, the graph Laplacian matrix can be viewed as a matrix form of the negative discrete Laplace operator on a graph approximating the negative continuous Laplacian obtained by the finite difference method. The Laplacian matrix relates to many useful properties of a graph.
Hermitian matrixIn mathematics, a Hermitian matrix (or self-adjoint matrix) is a complex square matrix that is equal to its own conjugate transpose—that is, the element in the i-th row and j-th column is equal to the complex conjugate of the element in the j-th row and i-th column, for all indices i and j: or in matrix form: Hermitian matrices can be understood as the complex extension of real symmetric matrices.
Covariance matrixIn probability theory and statistics, a covariance matrix (also known as auto-covariance matrix, dispersion matrix, variance matrix, or variance–covariance matrix) is a square matrix giving the covariance between each pair of elements of a given random vector. Any covariance matrix is symmetric and positive semi-definite and its main diagonal contains variances (i.e., the covariance of each element with itself). Intuitively, the covariance matrix generalizes the notion of variance to multiple dimensions.
Matrix (mathematics)In mathematics, a matrix (plural matrices) is a rectangular array or table of numbers, symbols, or expressions, arranged in rows and columns, which is used to represent a mathematical object or a property of such an object. For example, is a matrix with two rows and three columns. This is often referred to as a "two by three matrix", a " matrix", or a matrix of dimension . Without further specifications, matrices represent linear maps, and allow explicit computations in linear algebra.
Spectrum of a matrixIn mathematics, the spectrum of a matrix is the set of its eigenvalues. More generally, if is a linear operator on any finite-dimensional vector space, its spectrum is the set of scalars such that is not invertible. The determinant of the matrix equals the product of its eigenvalues. Similarly, the trace of the matrix equals the sum of its eigenvalues. From this point of view, we can define the pseudo-determinant for a singular matrix to be the product of its nonzero eigenvalues (the density of multivariate normal distribution will need this quantity).
Basis set (chemistry)In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer. The use of basis sets is equivalent to the use of an approximate resolution of the identity: the orbitals are expanded within the basis set as a linear combination of the basis functions , where the expansion coefficients are given by .
Stochastic matrixIn mathematics, a stochastic matrix is a square matrix used to describe the transitions of a Markov chain. Each of its entries is a nonnegative real number representing a probability. It is also called a probability matrix, transition matrix, substitution matrix, or Markov matrix. The stochastic matrix was first developed by Andrey Markov at the beginning of the 20th century, and has found use throughout a wide variety of scientific fields, including probability theory, statistics, mathematical finance and linear algebra, as well as computer science and population genetics.
Characteristic polynomialIn linear algebra, the characteristic polynomial of a square matrix is a polynomial which is invariant under matrix similarity and has the eigenvalues as roots. It has the determinant and the trace of the matrix among its coefficients. The characteristic polynomial of an endomorphism of a finite-dimensional vector space is the characteristic polynomial of the matrix of that endomorphism over any base (that is, the characteristic polynomial does not depend on the choice of a basis).
Numerical stabilityIn the mathematical subfield of numerical analysis, numerical stability is a generally desirable property of numerical algorithms. The precise definition of stability depends on the context. One is numerical linear algebra and the other is algorithms for solving ordinary and partial differential equations by discrete approximation. In numerical linear algebra, the principal concern is instabilities caused by proximity to singularities of various kinds, such as very small or nearly colliding eigenvalues.
Cubic functionIn mathematics, a cubic function is a function of the form that is, a polynomial function of degree three. In many texts, the coefficients a, b, c, and d are supposed to be real numbers, and the function is considered as a real function that maps real numbers to real numbers or as a complex function that maps complex numbers to complex numbers. In other cases, the coefficients may be complex numbers, and the function is a complex function that has the set of the complex numbers as its codomain, even when the domain is restricted to the real numbers.
Diagonalizable matrixIn linear algebra, a square matrix is called diagonalizable or non-defective if it is similar to a diagonal matrix, i.e., if there exists an invertible matrix and a diagonal matrix such that , or equivalently . (Such , are not unique.) For a finite-dimensional vector space , a linear map is called diagonalizable if there exists an ordered basis of consisting of eigenvectors of .
Factor analysisFactor analysis is a statistical method used to describe variability among observed, correlated variables in terms of a potentially lower number of unobserved variables called factors. For example, it is possible that variations in six observed variables mainly reflect the variations in two unobserved (underlying) variables. Factor analysis searches for such joint variations in response to unobserved latent variables.
