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).
Matrix (mathematics)In mathematics, a matrix (plural matrices) is a rectangular array or table of numbers, symbols, or expressions, arranged in rows and columns, which is used to represent a mathematical object or a property of such an object. For example, is a matrix with two rows and three columns. This is often referred to as a "two by three matrix", a " matrix", or a matrix of dimension . Without further specifications, matrices represent linear maps, and allow explicit computations in linear algebra.
Diagonal matrixIn linear algebra, a diagonal matrix is a matrix in which the entries outside the main diagonal are all zero; the term usually refers to square matrices. Elements of the main diagonal can either be zero or nonzero. An example of a 2×2 diagonal matrix is , while an example of a 3×3 diagonal matrix is. An identity matrix of any size, or any multiple of it (a scalar matrix), is a diagonal matrix. A diagonal matrix is sometimes called a scaling matrix, since matrix multiplication with it results in changing scale (size).
ColorColor (American English) or colour (Commonwealth English) is the visual perception based on the electromagnetic spectrum. Though color is not an inherent property of matter, color perception is related to an object's light absorption, reflection, emission spectra and interference. For most humans, color are perceived in the visible light spectrum with three types of cone cells (trichromacy). Other animals may have a different number of cone cell types or have eyes sensitive to different wavelength, such as bees that can distinguish ultraviolet, and thus have a different color sensitivity range.
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.
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.
Star polygonIn geometry, a star polygon is a type of non-convex polygon. Regular star polygons have been studied in depth; while star polygons in general appear not to have been formally defined, certain notable ones can arise through truncation operations on regular simple and star polygons. Branko Grünbaum identified two primary definitions used by Johannes Kepler, one being the regular star polygons with intersecting edges that don't generate new vertices, and the second being simple isotoxal concave polygons.
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).
PolygonIn geometry, a polygon (ˈpɒlɪɡɒn) is a plane figure made up of line segments connected to form a closed polygonal chain. The segments of a closed polygonal chain are called its edges or sides. The points where two edges meet are the polygon's vertices or corners. An n-gon is a polygon with n sides; for example, a triangle is a 3-gon. A simple polygon is one which does not intersect itself. More precisely, the only allowed intersections among the line segments that make up the polygon are the shared endpoints of consecutive segments in the polygonal chain.
Atomic orbitalIn atomic theory and quantum mechanics, an atomic orbital (ˈɔːrbɪtəl) is a function describing the location and wave-like behavior of an electron in an atom. This function can be used to calculate the probability of finding any electron of an atom in any specific region around the atom's nucleus. The term atomic orbital may also refer to the physical region or space where the electron can be calculated to be present, as predicted by the particular mathematical form of the orbital.
Regular polygonIn Euclidean geometry, a regular polygon is a polygon that is direct equiangular (all angles are equal in measure) and equilateral (all sides have the same length). Regular polygons may be either convex, star or skew. In the limit, a sequence of regular polygons with an increasing number of sides approximates a circle, if the perimeter or area is fixed, or a regular apeirogon (effectively a straight line), if the edge length is fixed. These properties apply to all regular polygons, whether convex or star.
DeterminantIn mathematics, the determinant is a scalar value that is a function of the entries of a square matrix. It characterizes some properties of the matrix and the linear map represented by the matrix. In particular, the determinant is nonzero if and only if the matrix is invertible and the linear map represented by the matrix is an isomorphism. The determinant of a product of matrices is the product of their determinants (the preceding property is a corollary of this one). The determinant of a matrix A is denoted det(A), det A, or .
Matrix decompositionIn the mathematical discipline of linear algebra, a matrix decomposition or matrix factorization is a factorization of a matrix into a product of matrices. There are many different matrix decompositions; each finds use among a particular class of problems. In numerical analysis, different decompositions are used to implement efficient matrix algorithms. For instance, when solving a system of linear equations , the matrix A can be decomposed via the LU decomposition.
Electronic correlationElectronic correlation is the interaction between electrons in the electronic structure of a quantum system. The correlation energy is a measure of how much the movement of one electron is influenced by the presence of all other electrons. Within the Hartree–Fock method of quantum chemistry, the antisymmetric wave function is approximated by a single Slater determinant. Exact wave functions, however, cannot generally be expressed as single determinants.
Matrix multiplicationIn mathematics, particularly in linear algebra, matrix multiplication is a binary operation that produces a matrix from two matrices. For matrix multiplication, the number of columns in the first matrix must be equal to the number of rows in the second matrix. The resulting matrix, known as the matrix product, has the number of rows of the first and the number of columns of the second matrix. The product of matrices A and B is denoted as AB.
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.
Color blindnessColor blindness or color vision deficiency (CVD) is the decreased ability to see color or differences in color. It can impair tasks such as selecting ripe fruit, choosing clothing, and reading traffic lights. Color blindness may make some academic activities more difficult. However, issues are generally minor, and people with colorblindness automatically develop adaptations and coping mechanisms. People with total color blindness (achromatopsia) may also be uncomfortable in bright environments and have decreased visual acuity.
Spin–orbit interactionIn quantum physics, the spin–orbit interaction (also called spin–orbit effect or spin–orbit coupling) is a relativistic interaction of a particle's spin with its motion inside a potential. A key example of this phenomenon is the spin–orbit interaction leading to shifts in an electron's atomic energy levels, due to electromagnetic interaction between the electron's magnetic dipole, its orbital motion, and the electrostatic field of the positively charged nucleus.
RectangleIn Euclidean plane geometry, a rectangle is a quadrilateral with four right angles. It can also be defined as: an equiangular quadrilateral, since equiangular means that all of its angles are equal (360°/4 = 90°); or a parallelogram containing a right angle. A rectangle with four sides of equal length is a square. The term "oblong" is occasionally used to refer to a non-square rectangle. A rectangle with vertices ABCD would be denoted as .
StarA star is an astronomical object comprising a luminous spheroid of plasma held together by self-gravity. The nearest star to Earth is the Sun. Many other stars are visible to the naked eye at night; their immense distances from Earth make them appear as fixed points of light. The most prominent stars have been categorised into constellations and asterisms, and many of the brightest stars have proper names. Astronomers have assembled star catalogues that identify the known stars and provide standardized stellar designations.
