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Variational method

Calculus of variations is a field of mathematical analysis that uses variations, which are small changes in functionsand functionals, to find maxima and minima of functionals: mappings from a set of 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. Calculus of variations is a field of mathematical analysis that uses variations, which are small changes in functionsand functionals, to find maxima and minima of functionals: mappings from a set of 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: light follows the path of shortest optical length connecting two points, where the optical length depends upon the material of the medium. One corresponding concept in mechanics is the principle of least/stationary action. Many important problems involve functions of several variables. Solutions of boundary value problems for the Laplace equation satisfy the Dirichlet principle. Plateau's problem requires finding a surface of minimal area that spans a given contour in space: a solution can often be found by dipping a frame in a solution of soap suds. Although such experiments are relatively easy to perform, their mathematical interpretation is far from simple: there may be more than one locally minimizing surface, and they may have non-trivial topology. The calculus of variations may be said to begin with Newton's minimal resistance problem in 1687, followed by the brachistochrone curve problem raised by Johann Bernoulli (1696). It immediately occupied the attention of Jakob Bernoulli and the Marquis de l'Hôpital, but Leonhard Euler first elaborated the subject, beginning in 1733. Lagrange was influenced by Euler's work to contribute significantly to the theory. After Euler saw the 1755 work of the 19-year-old Lagrange, Euler dropped his own partly geometric approach in favor of Lagrange's purely analytic approach and renamed the subject the calculus of variations in his 1756 lecture Elementa Calculi Variationum. Legendre (1786) laid down a method, not entirely satisfactory, for the discrimination of maxima and minima. Isaac Newton and Gottfried Leibniz also gave some early attention to the subject. To this discrimination Vincenzo Brunacci (1810), Carl Friedrich Gauss (1829), Siméon Poisson (1831), Mikhail Ostrogradsky (1834), and Carl Jacobi (1837) have been among the contributors. An important general work is that of Sarrus (1842) which was condensed and improved by Cauchy (1844). Other valuable treatises and memoirs have been written by Strauch (1849), Jellett (1850), Otto Hesse (1857), Alfred Clebsch (1858), and Carll (1885), but perhaps the most important work of the century is that of Weierstrass. His celebrated course on the theory is epoch-making, and it may be asserted that he was the first to place it on a firm and unquestionable foundation. The 20th and the 23rd Hilbert problem published in 1900 encouraged further development. In the 20th century David Hilbert, Emmy Noether, Leonida Tonelli, Henri Lebesgue and Jacques Hadamard among others made significant contributions. Marston Morse applied calculus of variations in what is now called Morse theory. Lev Pontryagin, Ralph Rockafellar and F. H. Clarke developed new mathematical tools for the calculus of variations in optimal control theory. The dynamic programming of Richard Bellman is an alternative to the calculus of variations. The calculus of variations is concerned with the maxima or minima (collectively called extrema) of functionals. A functional maps functions to scalars, so functionals have been described as 'functions of functions.' Functionals have extrema with respect to the elements y of a given function space defined over a given domain. A functional J is said to have an extremum at the function f if ΔJ = J − J has the same sign for all y in an arbitrarily small neighborhood of f . The function f is called an extremal function or extremal. The extremum J is called a local maximum if ΔJ ≤ 0 everywhere in an arbitrarily small neighborhood of f , and a local minimum if ΔJ ≥ 0 there. For a function space of continuous functions, extrema of corresponding functionals are called weak extrema or strong extrema, depending on whether the first derivatives of the continuous functions are respectively all continuous or not. Both strong and weak extrema of functionals are for a space of continuous functions but weak extrema have the additional requirement that the first derivatives of the functions in the space be continuous. Thus a strong extremum is also a weak extremum, but the converse may not hold. Finding strong extrema is more difficult than finding weak extrema. An example of a necessary condition that is used for finding weak extrema is the Euler–Lagrange equation. Finding the extrema of functionals is similar to finding the maxima and minima of functions. The maxima and minima of a function may be located by finding the points where its derivative vanishes (i.e., is equal to zero). The extrema of functionals may be obtained by finding functions where the functional derivative is equal to zero. This leads to solving the associated Euler–Lagrange equation.

[ "Quantum mechanics", "Mathematical optimization", "Mathematical analysis", "Computational chemistry", "Schwinger variational principle", "Variational integrator" ]
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