Spin waveIn condensed matter physics, a spin wave is a propagating disturbance in the ordering of a magnetic material. These low-lying collective excitations occur in magnetic lattices with continuous symmetry. From the equivalent quasiparticle point of view, spin waves are known as magnons, which are bosonic modes of the spin lattice that correspond roughly to the phonon excitations of the nuclear lattice. As temperature is increased, the thermal excitation of spin waves reduces a ferromagnet's spontaneous magnetization.
QuasiparticleIn physics, quasiparticles and collective excitations are closely related phenomena arising when a microscopically complicated system such as a solid behaves as if it contained different weakly interacting particles in vacuum. For example, as an electron travels through a semiconductor, its motion is disturbed in a complex way by its interactions with other electrons and with atomic nuclei. The electron behaves as though it has a different effective mass travelling unperturbed in vacuum.
Density functional theoryDensity-functional theory (DFT) is a computational quantum mechanical modelling method used in physics, chemistry and materials science to investigate the electronic structure (or nuclear structure) (principally the ground state) of many-body systems, in particular atoms, molecules, and the condensed phases. Using this theory, the properties of a many-electron system can be determined by using functionals, i.e. functions of another function. In the case of DFT, these are functionals of the spatially dependent electron density.
Wave–particle dualityWave–particle duality is the concept in quantum mechanics that quantum entities exhibit both particle and a wave properties according to the experimental circumstances. It expresses the inability of the classical concepts "particle" or "wave" to fully describe the behaviour of quantum-scale objects. As Albert Einstein wrote: It seems as though we must use sometimes the one theory and sometimes the other, while at times we may use either. We are faced with a new kind of difficulty.
Gravitational waveGravitational waves are waves of the intensity of gravity that are generated by the accelerated masses of an orbital binary system, and propagate as waves outward from their source at the speed of light. They were first proposed by Oliver Heaviside in 1893 and then later by Henri Poincaré in 1905 as waves similar to electromagnetic waves but the gravitational equivalent. Gravitational waves were later predicted in 1916 by Albert Einstein on the basis of his general theory of relativity as ripples in spacetime.
Linear regressionIn statistics, linear regression is a linear approach for modelling the relationship between a scalar response and one or more explanatory variables (also known as dependent and independent variables). The case of one explanatory variable is called simple linear regression; for more than one, the process is called multiple linear regression. This term is distinct from multivariate linear regression, where multiple correlated dependent variables are predicted, rather than a single scalar variable.
Theoretical physicsTheoretical physics is a branch of physics that employs mathematical models and abstractions of physical objects and systems to rationalize, explain and predict natural phenomena. This is in contrast to experimental physics, which uses experimental tools to probe these phenomena. The advancement of science generally depends on the interplay between experimental studies and theory. In some cases, theoretical physics adheres to standards of mathematical rigour while giving little weight to experiments and observations.
Lanczos algorithmThe Lanczos algorithm is an iterative method devised by Cornelius Lanczos that is an adaptation of power methods to find the "most useful" (tending towards extreme highest/lowest) eigenvalues and eigenvectors of an Hermitian matrix, where is often but not necessarily much smaller than . Although computationally efficient in principle, the method as initially formulated was not useful, due to its numerical instability. In 1970, Ojalvo and Newman showed how to make the method numerically stable and applied it to the solution of very large engineering structures subjected to dynamic loading.
Perturbation theory (quantum mechanics)In quantum mechanics, perturbation theory is a set of approximation schemes directly related to mathematical perturbation for describing a complicated quantum system in terms of a simpler one. The idea is to start with a simple system for which a mathematical solution is known, and add an additional "perturbing" Hamiltonian representing a weak disturbance to the system. If the disturbance is not too large, the various physical quantities associated with the perturbed system (e.g.
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.
Mathematical and theoretical biologyMathematical and theoretical biology, or biomathematics, is a branch of biology which employs theoretical analysis, mathematical models and abstractions of the living organisms to investigate the principles that govern the structure, development and behavior of the systems, as opposed to experimental biology which deals with the conduction of experiments to prove and validate the scientific theories. The field is sometimes called mathematical biology or biomathematics to stress the mathematical side, or theoretical biology to stress the biological side.
Eigenvalues and eigenvectorsIn linear algebra, an eigenvector (ˈaɪgənˌvɛktər) or characteristic vector of a linear transformation is a nonzero vector that changes at most by a constant factor when that linear transformation is applied to it. The corresponding eigenvalue, often represented by , is the multiplying factor. Geometrically, a transformation matrix rotates, stretches, or shears the vectors it acts upon. The eigenvectors for a linear transformation matrix are the set of vectors that are only stretched, with no rotation or shear.
PhotonA photon () is an elementary particle that is a quantum of the electromagnetic field, including electromagnetic radiation such as light and radio waves, and the force carrier for the electromagnetic force. Photons are massless, so they always move at the speed of light in vacuum, 299792458m/s (or about ). The photon belongs to the class of boson particles. As with other elementary particles, photons are best explained by quantum mechanics and exhibit wave–particle duality, their behavior featuring properties of both waves and particles.
Nuclear magnetic resonanceNuclear magnetic resonance (NMR) is a physical phenomenon in which nuclei in a strong constant magnetic field are perturbed by a weak oscillating magnetic field (in the near field) and respond by producing an electromagnetic signal with a frequency characteristic of the magnetic field at the nucleus. This process occurs near resonance, when the oscillation frequency matches the intrinsic frequency of the nuclei, which depends on the strength of the static magnetic field, the chemical environment, and the magnetic properties of the isotope involved; in practical applications with static magnetic fields up to ca.
Theoretical computer scienceTheoretical computer science (TCS) is a subset of general computer science and mathematics that focuses on mathematical aspects of computer science such as the theory of computation, lambda calculus, and type theory. It is difficult to circumscribe the theoretical areas precisely. The ACM's Special Interest Group on Algorithms and Computation Theory (SIGACT) provides the following description: History of computer science While logical inference and mathematical proof had existed previously, in 1931 Kurt Gödel proved with his incompleteness theorem that there are fundamental limitations on what statements could be proved or disproved.
Linear least squaresLinear least squares (LLS) is the least squares approximation of linear functions to data. It is a set of formulations for solving statistical problems involved in linear regression, including variants for ordinary (unweighted), weighted, and generalized (correlated) residuals. Numerical methods for linear least squares include inverting the matrix of the normal equations and orthogonal decomposition methods. The three main linear least squares formulations are: Ordinary least squares (OLS) is the most common estimator.
Debye modelIn thermodynamics and solid-state physics, the Debye model is a method developed by Peter Debye in 1912 for estimating the phonon contribution to the specific heat (Heat capacity) in a solid. It treats the vibrations of the atomic lattice (heat) as phonons in a box, in contrast to the Einstein photoelectron model, which treats the solid as many individual, non-interacting quantum harmonic oscillators. The Debye model correctly predicts the low-temperature dependence of the heat capacity of solids, which is proportional to – the Debye T 3 law.
Generalized linear modelIn statistics, a generalized linear model (GLM) is a flexible generalization of ordinary linear regression. The GLM generalizes linear regression by allowing the linear model to be related to the response variable via a link function and by allowing the magnitude of the variance of each measurement to be a function of its predicted value. Generalized linear models were formulated by John Nelder and Robert Wedderburn as a way of unifying various other statistical models, including linear regression, logistic regression and Poisson regression.
Configuration interactionConfiguration interaction (CI) is a post-Hartree–Fock linear variational method for solving the nonrelativistic Schrödinger equation within the Born–Oppenheimer approximation for a quantum chemical multi-electron system. Mathematically, configuration simply describes the linear combination of Slater determinants used for the wave function. In terms of a specification of orbital occupation (for instance, (1s)2(2s)2(2p)1...), interaction means the mixing (interaction) of different electronic configurations (states).
Dynamical mean-field theoryDynamical mean-field theory (DMFT) is a method to determine the electronic structure of strongly correlated materials. In such materials, the approximation of independent electrons, which is used in density functional theory and usual band structure calculations, breaks down. Dynamical mean-field theory, a non-perturbative treatment of local interactions between electrons, bridges the gap between the nearly free electron gas limit and the atomic limit of condensed-matter physics.
