Symplectic manifoldIn differential geometry, a subject of mathematics, a symplectic manifold is a smooth manifold, , equipped with a closed nondegenerate differential 2-form , called the symplectic form. The study of symplectic manifolds is called symplectic geometry or symplectic topology. Symplectic manifolds arise naturally in abstract formulations of classical mechanics and analytical mechanics as the cotangent bundles of manifolds.
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.
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.
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.
Harmonic mapIn the mathematical field of differential geometry, a smooth map between Riemannian manifolds is called harmonic if its coordinate representatives satisfy a certain nonlinear partial differential equation. This partial differential equation for a mapping also arises as the Euler-Lagrange equation of a functional called the Dirichlet energy. As such, the theory of harmonic maps contains both the theory of unit-speed geodesics in Riemannian geometry and the theory of harmonic functions.
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".
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).
Computational chemistryComputational 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.
Wave packetIn physics, a wave packet (also known as a wave train or wave group) is a short burst of localized wave action that travels as a unit, outlined by an envelope. A wave packet can be analyzed into, or can be synthesized from, a potentially-infinite set of component sinusoidal waves of different wavenumbers, with phases and amplitudes such that they interfere constructively only over a small region of space, and destructively elsewhere.
Numerical methods for partial differential equationsNumerical methods for partial differential equations is the branch of numerical analysis that studies the numerical solution of partial differential equations (PDEs). In principle, specialized methods for hyperbolic, parabolic or elliptic partial differential equations exist. Finite difference method In this method, functions are represented by their values at certain grid points and derivatives are approximated through differences in these values.
Absorption spectroscopyAbsorption spectroscopy refers to spectroscopic techniques that measure the absorption of electromagnetic radiation, as a function of frequency or wavelength, due to its interaction with a sample. The sample absorbs energy, i.e., photons, from the radiating field. The intensity of the absorption varies as a function of frequency, and this variation is the absorption spectrum. Absorption spectroscopy is performed across the electromagnetic spectrum.
Generalized complex structureIn the field of mathematics known as differential geometry, a generalized complex structure is a property of a differential manifold that includes as special cases a complex structure and a symplectic structure. Generalized complex structures were introduced by Nigel Hitchin in 2002 and further developed by his students Marco Gualtieri and Gil Cavalcanti.
Vibronic couplingVibronic coupling (also called nonadiabatic coupling or derivative coupling) in a molecule involves the interaction between electronic and nuclear vibrational motion. The term "vibronic" originates from the combination of the terms "vibrational" and "electronic", denoting the idea that in a molecule, vibrational and electronic interactions are interrelated and influence each other. The magnitude of vibronic coupling reflects the degree of such interrelation.
Photoemission spectroscopyPhotoemission spectroscopy (PES), also known as photoelectron spectroscopy, refers to energy measurement of electrons emitted from solids, gases or liquids by the photoelectric effect, in order to determine the binding energies of electrons in the substance. The term refers to various techniques, depending on whether the ionization energy is provided by X-ray, XUV or UV photons. Regardless of the incident photon beam, however, all photoelectron spectroscopy revolves around the general theme of surface analysis by measuring the ejected electrons.
Linear complex structureIn mathematics, a complex structure on a real vector space V is an automorphism of V that squares to the minus identity, −I. Such a structure on V allows one to define multiplication by complex scalars in a canonical fashion so as to regard V as a complex vector space. Every complex vector space can be equipped with a compatible complex structure, however, there is in general no canonical such structure. Complex structures have applications in representation theory as well as in complex geometry where they play an essential role in the definition of almost complex manifolds, by contrast to complex manifolds.
Vibronic spectroscopyVibronic spectroscopy is a branch of molecular spectroscopy concerned with vibronic transitions: the simultaneous changes in electronic and vibrational energy levels of a molecule due to the absorption or emission of a photon of the appropriate energy. In the gas phase, vibronic transitions are accompanied by changes in rotational energy also. Vibronic spectra of diatomic molecules have been analysed in detail; emission spectra are more complicated than absorption spectra.
X-ray photoelectron spectroscopyX-ray photoelectron spectroscopy (XPS) is a surface-sensitive quantitative spectroscopic technique based on the photoelectric effect that can identify the elements that exist within a material (elemental composition) or are covering its surface, as well as their chemical state, and the overall electronic structure and density of the electronic states in the material. XPS is a powerful measurement technique because it not only shows what elements are present, but also what other elements they are bonded to.
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 .
Asymptotic expansionIn mathematics, an asymptotic expansion, asymptotic series or Poincaré expansion (after Henri Poincaré) is a formal series of functions which has the property that truncating the series after a finite number of terms provides an approximation to a given function as the argument of the function tends towards a particular, often infinite, point. Investigations by revealed that the divergent part of an asymptotic expansion is latently meaningful, i.e. contains information about the exact value of the expanded function.
