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.
Accumulation pointIn mathematics, a limit point, accumulation point, or cluster point of a set in a topological space is a point that can be "approximated" by points of in the sense that every neighbourhood of with respect to the topology on also contains a point of other than itself. A limit point of a set does not itself have to be an element of There is also a closely related concept for sequences.
Nth rootIn mathematics, taking the nth root is an operation involving two numbers, the radicand and the index or degree. Taking the nth root is written as , where x is the radicand and n is the index (also sometimes called the degree). This is pronounced as "the nth root of x". The definition then of an nth root of a number x is a number r (the root) which, when raised to the power of the positive integer n, yields x: A root of degree 2 is called a square root (usually written without the n as just ) and a root of degree 3, a cube root (written ).
Statistical modelA statistical model is a mathematical model that embodies a set of statistical assumptions concerning the generation of sample data (and similar data from a larger population). A statistical model represents, often in considerably idealized form, the data-generating process. When referring specifically to probabilities, the corresponding term is probabilistic model. A statistical model is usually specified as a mathematical relationship between one or more random variables and other non-random variables.
Lattice (group)In geometry and group theory, a lattice in the real coordinate space is an infinite set of points in this space with the properties that coordinate-wise addition or subtraction of two points in the lattice produces another lattice point, that the lattice points are all separated by some minimum distance, and that every point in the space is within some maximum distance of a lattice point.
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.
Orchestrated objective reductionOrchestrated objective reduction (Orch OR) is a theory which postulates that consciousness originates at the quantum level inside neurons, rather than the conventional view that it is a product of connections between neurons. The mechanism is held to be a quantum process called objective reduction that is orchestrated by cellular structures called microtubules. It is proposed that the theory may answer the hard problem of consciousness and provide a mechanism for free will.
Dispersion (water waves)In fluid dynamics, dispersion of water waves generally refers to frequency dispersion, which means that waves of different wavelengths travel at different phase speeds. Water waves, in this context, are waves propagating on the water surface, with gravity and surface tension as the restoring forces. As a result, water with a free surface is generally considered to be a dispersive medium. For a certain water depth, surface gravity waves – i.e.
Point (geometry)In classical Euclidean geometry, a point is a primitive notion that models an exact location in space, and has no length, width, or thickness. In modern mathematics, a point refers more generally to an element of some set called a space. Being a primitive notion means that a point cannot be defined in terms of previously defined objects. That is, a point is defined only by some properties, called axioms, that it must satisfy; for example, "there is exactly one line that passes through two different points".
Liquid-crystal displayA liquid-crystal display (LCD) is a flat-panel display or other electronically modulated optical device that uses the light-modulating properties of liquid crystals combined with polarizers. Liquid crystals do not emit light directly but instead use a backlight or reflector to produce images in color or monochrome. LCDs are available to display arbitrary images (as in a general-purpose computer display) or fixed images with low information content, which can be displayed or hidden: preset words, digits, and seven-segment displays (as in a digital clock) are all examples of devices with these displays.
Markov chainA Markov chain or Markov process is a stochastic model describing a sequence of possible events in which the probability of each event depends only on the state attained in the previous event. Informally, this may be thought of as, "What happens next depends only on the state of affairs now." A countably infinite sequence, in which the chain moves state at discrete time steps, gives a discrete-time Markov chain (DTMC). A continuous-time process is called a continuous-time Markov chain (CTMC).
Floating-point arithmeticIn computing, floating-point arithmetic (FP) is arithmetic that represents subsets of real numbers using an integer with a fixed precision, called the significand, scaled by an integer exponent of a fixed base. Numbers of this form are called floating-point numbers. For example, 12.345 is a floating-point number in base ten with five digits of precision: However, unlike 12.345, 12.3456 is not a floating-point number in base ten with five digits of precision—it needs six digits of precision; the nearest floating-point number with only five digits is 12.
