Perturbation theoryIn mathematics and applied mathematics, perturbation theory comprises methods for finding an approximate solution to a problem, by starting from the exact solution of a related, simpler problem. A critical feature of the technique is a middle step that breaks the problem into "solvable" and "perturbative" parts. In perturbation theory, the solution is expressed as a power series in a small parameter . The first term is the known solution to the solvable problem. Successive terms in the series at higher powers of usually become smaller.
Quantum chemistryQuantum chemistry, also called molecular quantum mechanics, is a branch of physical chemistry focused on the application of quantum mechanics to chemical systems, particularly towards the quantum-mechanical calculation of electronic contributions to physical and chemical properties of molecules, materials, and solutions at the atomic level. These calculations include systematically applied approximations intended to make calculations computationally feasible while still capturing as much information about important contributions to the computed wave functions as well as to observable properties such as structures, spectra, and thermodynamic properties.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Semi-empirical quantum chemistry methodSemi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods. Within the framework of Hartree–Fock calculations, some pieces of information (such as two-electron integrals) are sometimes approximated or completely omitted.
Slater determinantIn quantum mechanics, a Slater determinant is an expression that describes the wave function of a multi-fermionic system. It satisfies anti-symmetry requirements, and consequently the Pauli principle, by changing sign upon exchange of two electrons (or other fermions). Only a small subset of all possible fermionic wave functions can be written as a single Slater determinant, but those form an important and useful subset because of their simplicity.
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.
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).
Triangle centerIn geometry, a triangle center or triangle centre is a point in the triangle's plane that is in some sense in the middle of the triangle. For example, the centroid, circumcenter, incenter and orthocenter were familiar to the ancient Greeks, and can be obtained by simple constructions. Each of these classical centers has the property that it is invariant (more precisely equivariant) under similarity transformations.
Altitude (triangle)In geometry, an altitude of a triangle is a line segment through a vertex and perpendicular to a line containing the the side opposite the vertex. This line containing the opposite side is called the extended base of the altitude. The intersection of the extended base and the altitude is called the foot of the altitude. The length of the altitude, often simply called "the altitude", is the distance between the extended base and the vertex. The process of drawing the altitude from the vertex to the foot is known as dropping the altitude at that vertex.
Skew polygonIn geometry, a skew polygon is a polygon whose vertices are not all coplanar. Skew polygons must have at least four vertices. The interior surface (or area) of such a polygon is not uniquely defined. Skew infinite polygons (apeirogons) have vertices which are not all colinear. A zig-zag skew polygon or antiprismatic polygon has vertices which alternate on two parallel planes, and thus must be even-sided. Regular skew polygons in 3 dimensions (and regular skew apeirogons in two dimensions) are always zig-zag.
Medial triangleIn Euclidean geometry, the medial triangle or midpoint triangle of a triangle △ABC is the triangle with vertices at the midpoints of the triangle's sides AB, AC, BC. It is the n = 3 case of the midpoint polygon of a polygon with n sides. The medial triangle is not the same thing as the median triangle, which is the triangle whose sides have the same lengths as the medians of △ABC. Each side of the medial triangle is called a midsegment (or midline). In general, a midsegment of a triangle is a line segment which joins the midpoints of two sides of the triangle.
Color spaceA color space is a specific organization of colors. In combination with color profiling supported by various physical devices, it supports reproducible representations of color - whether such representation entails an analog or a digital representation. A color space may be arbitrary, i.e. with physically realized colors assigned to a set of physical color swatches with corresponding assigned color names (including discrete numbers in - for example - the Pantone collection), or structured with mathematical rigor (as with the NCS System, Adobe RGB and sRGB).
Color theoryIn the visual arts, color theory is the body of practical guidance for color mixing and the visual effects of a specific color combination. Color terminology based on the color wheel and its geometry separates colors into primary color, secondary color, and tertiary color. The understanding of color theory dates to antiquity. Aristotle (d. 322 BCE) and Claudius Ptolemy (d. 168 CE) already discussed which and how colors can be produced by mixing other colors. The influence of light on color was investigated and revealed further by al-Kindi (d.
Wave functionIn quantum physics, a wave function (or wavefunction), represented by the Greek letter Ψ, is a mathematical description of the quantum state of an isolated quantum system. In the Copenhagen interpretation of quantum mechanics, the wave function is a complex-valued probability amplitude; the probabilities for the possible results of the measurements made on a measured system can be derived from the wave function. The most common symbols for a wave function are the Greek letters ψ and Ψ (lower-case and capital psi, respectively).
Special right triangleA special right triangle is a right triangle with some regular feature that makes calculations on the triangle easier, or for which simple formulas exist. For example, a right triangle may have angles that form simple relationships, such as 45°–45°–90°. This is called an "angle-based" right triangle. A "side-based" right triangle is one in which the lengths of the sides form ratios of whole numbers, such as 3 : 4 : 5, or of other special numbers such as the golden ratio.
Integer triangleAn integer triangle or integral triangle is a triangle all of whose side lengths are integers. A rational triangle is one whose side lengths are rational numbers; any rational triangle can be rescaled by the lowest common denominator of the sides to obtain a similar integer triangle, so there is a close relationship between integer triangles and rational triangles. Sometimes other definitions of the term rational triangle are used: Carmichael (1914) and Dickson (1920) use the term to mean a Heronian triangle (a triangle with integral or rational side lengths and area);cite book |last=Carmichael |first=R.
Full dress uniformFull dress uniform, also known as a ceremonial dress uniform or parade dress uniform, is the most formal type of uniforms used by military, police, fire and other public uniformed services for official parades, ceremonies, and receptions, including private ones such as marriages and funerals. Full dress uniforms typically include full-size orders and medals insignia. Styles tend to trace back to uniforms used during the 19th century, although the 20th century saw the adoption of mess dress-styled full-dress uniforms.
WKB approximationIn mathematical physics, the WKB approximation or WKB method is a method for finding approximate solutions to linear differential equations with spatially varying coefficients. It is typically used for a semiclassical calculation in quantum mechanics in which the wavefunction is recast as an exponential function, semiclassically expanded, and then either the amplitude or the phase is taken to be changing slowly. The name is an initialism for Wentzel–Kramers–Brillouin. It is also known as the LG or Liouville–Green method.
UniformA uniform is a variety of costume worn by members of an organization while participating in that organization's activity. Modern uniforms are most often worn by armed forces and paramilitary organizations such as police, emergency services, security guards, in some workplaces and schools and by inmates in prisons. In some countries, some other officials also wear uniforms in their duties; such is the case of the Commissioned Corps of the United States Public Health Service or the French prefects.
Uniform spaceIn the mathematical field of topology, a uniform space is a topological space with additional structure that is used to define uniform properties, such as completeness, uniform continuity and uniform convergence. Uniform spaces generalize metric spaces and topological groups, but the concept is designed to formulate the weakest axioms needed for most proofs in analysis. In addition to the usual properties of a topological structure, in a uniform space one formalizes the notions of relative closeness and closeness of points.
