Symplectic integratorIn mathematics, a symplectic integrator (SI) is a numerical integration scheme for Hamiltonian systems. Symplectic integrators form the subclass of geometric integrators which, by definition, are canonical transformations. They are widely used in nonlinear dynamics, molecular dynamics, discrete element methods, accelerator physics, plasma physics, quantum physics, and celestial mechanics. Symplectic integrators are designed for the numerical solution of Hamilton's equations, which read where denotes the position coordinates, the momentum coordinates, and is the Hamiltonian.
Numerical methods for ordinary differential equationsNumerical methods for ordinary differential equations are methods used to find numerical approximations to the solutions of ordinary differential equations (ODEs). Their use is also known as "numerical integration", although this term can also refer to the computation of integrals. Many differential equations cannot be solved exactly. For practical purposes, however – such as in engineering – a numeric approximation to the solution is often sufficient. The algorithms studied here can be used to compute such an approximation.
Numerical integrationIn analysis, numerical integration comprises a broad family of algorithms for calculating the numerical value of a definite integral, and by extension, the term is also sometimes used to describe the numerical solution of differential equations. This article focuses on calculation of definite integrals. The term numerical quadrature (often abbreviated to quadrature) is more or less a synonym for numerical integration, especially as applied to one-dimensional integrals.
Runge–Kutta methodsIn numerical analysis, the Runge–Kutta methods (ˈrʊŋəˈkʊtɑː ) are a family of implicit and explicit iterative methods, which include the Euler method, used in temporal discretization for the approximate solutions of simultaneous nonlinear equations. These methods were developed around 1900 by the German mathematicians Carl Runge and Wilhelm Kutta. The most widely known member of the Runge–Kutta family is generally referred to as "RK4", the "classic Runge–Kutta method" or simply as "the Runge–Kutta method".
Euler methodIn mathematics and computational science, the Euler method (also called the forward Euler method) is a first-order numerical procedure for solving ordinary differential equations (ODEs) with a given initial value. It is the most basic explicit method for numerical integration of ordinary differential equations and is the simplest Runge–Kutta method. The Euler method is named after Leonhard Euler, who first proposed it in his book Institutionum calculi integralis (published 1768–1870).
Heun's methodIn mathematics and computational science, Heun's method may refer to the improved or modified Euler's method (that is, the explicit trapezoidal rule), or a similar two-stage Runge–Kutta method. It is named after Karl Heun and is a numerical procedure for solving ordinary differential equations (ODEs) with a given initial value. Both variants can be seen as extensions of the Euler method into two-stage second-order Runge–Kutta methods.
Verlet integrationVerlet integration (vɛʁˈlɛ) is a numerical method used to integrate Newton's equations of motion. It is frequently used to calculate trajectories of particles in molecular dynamics simulations and computer graphics. The algorithm was first used in 1791 by Jean Baptiste Delambre and has been rediscovered many times since then, most recently by Loup Verlet in the 1960s for use in molecular dynamics. It was also used by P. H. Cowell and A. C. C.
Symplectic vector spaceIn mathematics, a symplectic vector space is a vector space V over a field F (for example the real numbers R) equipped with a symplectic bilinear form. A symplectic bilinear form is a mapping ω : V × V → F that is Bilinear Linear in each argument separately; Alternating ω(v, v) = 0 holds for all v ∈ V; and Non-degenerate ω(u, v) = 0 for all v ∈ V implies that u = 0. If the underlying field has characteristic not 2, alternation is equivalent to skew-symmetry. If the characteristic is 2, the skew-symmetry is implied by, but does not imply alternation.
Symplectic geometrySymplectic geometry is a branch of differential geometry and differential topology that studies symplectic manifolds; that is, differentiable manifolds equipped with a closed, nondegenerate 2-form. Symplectic geometry has its origins in the Hamiltonian formulation of classical mechanics where the phase space of certain classical systems takes on the structure of a symplectic manifold. The term "symplectic", introduced by Weyl, is a calque of "complex"; previously, the "symplectic group" had been called the "line complex group".
Schrödinger equationThe Schrödinger equation is a linear partial differential equation that governs the wave function of a quantum-mechanical system. Its discovery was a significant landmark in the development of quantum mechanics. The equation is named after Erwin Schrödinger, who postulated the equation in 1925 and published it in 1926, forming the basis for the work that resulted in his Nobel Prize in Physics in 1933. Conceptually, the Schrödinger equation is the quantum counterpart of Newton's second law in classical mechanics.
Poisson manifoldIn differential geometry, a field in mathematics, a Poisson manifold is a smooth manifold endowed with a Poisson structure. The notion of Poisson manifold generalises that of symplectic manifold, which in turn generalises the phase space from Hamiltonian mechanics. A Poisson structure (or Poisson bracket) on a smooth manifold is a functionon the vector space of smooth functions on , making it into a Lie algebra subject to a Leibniz rule (also known as a Poisson algebra).
Ordinary differential equationIn mathematics, an ordinary differential equation (ODE) is a differential equation (DE) dependent on only a single independent variable. As with other DE, its unknown(s) consists of one (or more) function(s) and involves the derivatives of those functions. The term "ordinary" is used in contrast with partial differential equations which may be with respect to one independent variable. A linear differential equation is a differential equation that is defined by a linear polynomial in the unknown function and its derivatives, that is an equation of the form where a_0(x), .
Lexicographic orderIn mathematics, the lexicographic or lexicographical order (also known as lexical order, or dictionary order) is a generalization of the alphabetical order of the dictionaries to sequences of ordered symbols or, more generally, of elements of a totally ordered set. There are several variants and generalizations of the lexicographical ordering. One variant applies to sequences of different lengths by comparing the lengths of the sequences before considering their elements.
Total orderIn mathematics, a total order or linear order is a partial order in which any two elements are comparable. That is, a total order is a binary relation on some set , which satisfies the following for all and in : (reflexive). If and then (transitive). If and then (antisymmetric). or (strongly connected, formerly called total). Reflexivity (1.) already follows from connectedness (4.), but is required explicitly by many authors nevertheless, to indicate the kinship to partial orders.
Symplectic matrixIn mathematics, a symplectic matrix is a matrix with real entries that satisfies the condition where denotes the transpose of and is a fixed nonsingular, skew-symmetric matrix. This definition can be extended to matrices with entries in other fields, such as the complex numbers, finite fields, p-adic numbers, and function fields. Typically is chosen to be the block matrix where is the identity matrix. The matrix has determinant and its inverse is .
Geometrical frustrationIn condensed matter physics, the term geometrical frustration (or in short: frustration) refers to a phenomenon where atoms tend to stick to non-trivial positions or where, on a regular crystal lattice, conflicting inter-atomic forces (each one favoring rather simple, but different structures) lead to quite complex structures. As a consequence of the frustration in the geometry or in the forces, a plenitude of distinct ground states may result at zero temperature, and usual thermal ordering may be suppressed at higher temperatures.
Calculus of variationsThe calculus of variations (or variational calculus) is a field of mathematical analysis that uses variations, which are small changes in functions and 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.
Symplectic groupIn mathematics, the name symplectic group can refer to two different, but closely related, collections of mathematical groups, denoted Sp(2n, F) and Sp(n) for positive integer n and field F (usually C or R). The latter is called the compact symplectic group and is also denoted by . Many authors prefer slightly different notations, usually differing by factors of 2. The notation used here is consistent with the size of the most common matrices which represent the groups.
Schrödinger pictureIn physics, the Schrödinger picture or Schrödinger representation is a formulation of quantum mechanics in which the state vectors evolve in time, but the operators (observables and others) are mostly constant with respect to time (an exception is the Hamiltonian which may change if the potential changes). This differs from the Heisenberg picture which keeps the states constant while the observables evolve in time, and from the interaction picture in which both the states and the observables evolve in time.
Order isomorphismIn the mathematical field of order theory, an order isomorphism is a special kind of monotone function that constitutes a suitable notion of isomorphism for partially ordered sets (posets). Whenever two posets are order isomorphic, they can be considered to be "essentially the same" in the sense that either of the orders can be obtained from the other just by renaming of elements. Two strictly weaker notions that relate to order isomorphisms are order embeddings and Galois connections.
