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).
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.
Coupled clusterCoupled cluster (CC) is a numerical technique used for describing many-body systems. Its most common use is as one of several post-Hartree–Fock ab initio quantum chemistry methods in the field of computational chemistry, but it is also used in nuclear physics. Coupled cluster essentially takes the basic Hartree–Fock molecular orbital method and constructs multi-electron wavefunctions using the exponential cluster operator to account for electron correlation. Some of the most accurate calculations for small to medium-sized molecules use this method.
Multi-configurational self-consistent fieldMulti-configurational self-consistent field (MCSCF) is a method in quantum chemistry used to generate qualitatively correct reference states of molecules in cases where Hartree–Fock and density functional theory are not adequate (e.g., for molecular ground states which are quasi-degenerate with low-lying excited states or in bond-breaking situations). It uses a linear combination of configuration state functions (CSF), or configuration determinants, to approximate the exact electronic wavefunction of an atom or molecule.
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.
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.
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.
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 .
Golden rectangleIn geometry, a golden rectangle is a rectangle whose side lengths are in the golden ratio, , which is (the Greek letter phi), where is approximately 1.618. Golden rectangles exhibit a special form of self-similarity: All rectangles created by adding or removing a square from an end are golden rectangles as well. A golden rectangle can be constructed with only a straightedge and compass in four simple steps: Draw a square. Draw a line from the midpoint of one side of the square to an opposite corner.
SquareIn Euclidean geometry, a square is a regular quadrilateral, which means that it has four equal sides and four equal angles (90-degree angles, π/2 radian angles, or right angles). It can also be defined as a rectangle with two equal-length adjacent sides. It is the only regular polygon whose internal angle, central angle, and external angle are all equal (90°), and whose diagonals are all equal in length. A square with vertices ABCD would be denoted .
PenA pen is a common writing instrument that applies ink to a surface, usually paper, for writing or drawing. Early pens such as reed pens, quill pens, dip pens and ruling pens held a small amount of ink on a nib or in a small void or cavity which had to be periodically recharged by dipping the tip of the pen into an inkwell. Today, such pens find only a small number of specialized uses, such as in illustration and calligraphy. Reed pens, quill pens and dip pens, which were used for writing, have been replaced by ballpoint pens, rollerball pens, fountain pens and felt or ceramic tip pens.
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.
Golden ratioIn mathematics, two quantities are in the golden ratio if their ratio is the same as the ratio of their sum to the larger of the two quantities. Expressed algebraically, for quantities and with , where the Greek letter phi ( or ) denotes the golden ratio. The constant satisfies the quadratic equation and is an irrational number with a value of The golden ratio was called the extreme and mean ratio by Euclid, and the divine proportion by Luca Pacioli, and also goes by several other names.
Dip penA dip pen or nib pen or pen nib usually consists of a metal nib with capillary channels like those of fountain pen nibs, mounted in a handle or holder, often made of wood. Other materials can be used for the holder, including bone, metal and plastic; some pens are made entirely of glass. Generally dip pens have no ink reservoir, so the user must refill the ink from an ink bowl or bottle to continue drawing or writing. Sometimes a simple tubular reservoir can be clipped to the top of the pen, allowing for several minutes of uninterrupted use.
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.
Keyboard layoutA keyboard layout is any specific physical, visual or functional arrangement of the keys, legends, or key-meaning associations (respectively) of a computer keyboard, mobile phone, or other computer-controlled typographic keyboard. is the actual positioning of keys on a keyboard. is the arrangement of the legends (labels, markings, engravings) that appear on those keys. is the arrangement of the key-meaning association or keyboard mapping, determined in software, of all the keys of a keyboard; it is this (rather than the legends) that determines the actual response to a key press.
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.
Convex polygonIn geometry, a convex polygon is a polygon that is the boundary of a convex set. This means that the line segment between two points of the polygon is contained in the union of the interior and the boundary of the polygon. In particular, it is a simple polygon (not self-intersecting). Equivalently, a polygon is convex if every line that does not contain any edge intersects the polygon in at most two points. A strictly convex polygon is a convex polygon such that no line contains two of its edges.
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.
Microsoft PowerPointMicrosoft PowerPoint is a presentation program, created by Robert Gaskins and Dennis Austin at a software company named Forethought, Inc. It was released on April 20, 1987, initially for Macintosh computers only. Microsoft acquired PowerPoint for about $14 million three months after it appeared. This was Microsoft's first significant acquisition, and Microsoft set up a new business unit for PowerPoint in Silicon Valley where Forethought had been located.
