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.
Intensive and extensive propertiesPhysical properties of materials and systems can often be categorized as being either intensive or extensive, according to how the property changes when the size (or extent) of the system changes. According to IUPAC, an intensive quantity is one whose magnitude is independent of the size of the system, whereas an extensive quantity is one whose magnitude is additive for subsystems. The terms "intensive and extensive quantities" were introduced into physics by German writer Georg Helm in 1898, and by American physicist and chemist Richard C.
Table of thermodynamic equationsCommon thermodynamic equations and quantities in thermodynamics, using mathematical notation, are as follows: List of thermodynamic propertiesThermodynamic potentialFree entropy and Defining equation (physical chemistry) Many of the definitions below are also used in the thermodynamics of chemical reactions. Heat capacity and Thermal expansion Thermal conductivity The equations in this article are classified by subject. where kB is the Boltzmann constant, and Ω denotes the volume of macrostate in the phase space or otherwise called thermodynamic probability.
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.
Numerical analysisNumerical analysis is the study of algorithms that use numerical approximation (as opposed to symbolic manipulations) for the problems of mathematical analysis (as distinguished from discrete mathematics). It is the study of numerical methods that attempt at finding approximate solutions of problems rather than the exact ones. Numerical analysis finds application in all fields of engineering and the physical sciences, and in the 21st century also the life and social sciences, medicine, business and even the arts.
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.
Phase-space formulationThe phase-space formulation of quantum mechanics places the position and momentum variables on equal footing in phase space. In contrast, the Schrödinger picture uses the position or momentum representations (see also position and momentum space). The two key features of the phase-space formulation are that the quantum state is described by a quasiprobability distribution (instead of a wave function, state vector, or density matrix) and operator multiplication is replaced by a star product.
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.
Wigner quasiprobability distributionThe Wigner quasiprobability distribution (also called the Wigner function or the Wigner–Ville distribution, after Eugene Wigner and Jean-André Ville) is a quasiprobability distribution. It was introduced by Eugene Wigner in 1932 to study quantum corrections to classical statistical mechanics. The goal was to link the wavefunction that appears in Schrödinger's equation to a probability distribution in phase space. It is a generating function for all spatial autocorrelation functions of a given quantum-mechanical wavefunction ψ(x).
Smoothed-particle hydrodynamicsSmoothed-particle hydrodynamics (SPH) is a computational method used for simulating the mechanics of continuum media, such as solid mechanics and fluid flows. It was developed by Gingold and Monaghan and Lucy in 1977, initially for astrophysical problems. It has been used in many fields of research, including astrophysics, ballistics, volcanology, and oceanography. It is a meshfree Lagrangian method (where the co-ordinates move with the fluid), and the resolution of the method can easily be adjusted with respect to variables such as density.
