Molecular orbitalIn chemistry, a molecular orbital (ɒrbədl) is a mathematical function describing the location and wave-like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such as the probability of finding an electron in any specific region. The terms atomic orbital and molecular orbital were introduced by Robert S. Mulliken in 1932 to mean one-electron orbital wave functions. At an elementary level, they are used to describe the region of space in which a function has a significant amplitude.
ProbabilityProbability is the branch of mathematics concerning numerical descriptions of how likely an event is to occur, or how likely it is that a proposition is true. The probability of an event is a number between 0 and 1, where, roughly speaking, 0 indicates impossibility of the event and 1 indicates certainty. The higher the probability of an event, the more likely it is that the event will occur. A simple example is the tossing of a fair (unbiased) coin.
Principal quantum numberIn quantum mechanics, the principal quantum number (symbolized n) is one of four quantum numbers assigned to each electron in an atom to describe that electron's state. Its values are natural numbers (from 1) making it a discrete variable. Apart from the principal quantum number, the other quantum numbers for bound electrons are the azimuthal quantum number l, the magnetic quantum number ml, and the spin quantum number s. As n increases, the electron is also at a higher energy and is, therefore, less tightly bound to the nucleus.
Magnetic quantum numberIn atomic physics, a magnetic quantum number is a quantum number used to distinguish quantum states of an electron or other particle according to its angular momentum along a given axis in space. The orbital magnetic quantum number (ml or m) distinguishes the orbitals available within a given subshell of an atom. It specifies the component of the orbital angular momentum that lies along a given axis, conventionally called the z-axis, so it describes the orientation of the orbital in space.
Azimuthal quantum numberIn quantum mechanics, the azimuthal quantum number is a quantum number for an atomic orbital that determines its orbital angular momentum and describes the shape of the orbital. The azimuthal quantum number is the second of a set of quantum numbers that describe the unique quantum state of an electron (the others being the principal quantum number n, the magnetic quantum number m_l, and the spin quantum number m_s). It is also known as the orbital angular momentum quantum number, orbital quantum number, subsidiary quantum number, or second quantum number, and is symbolized as l (pronounced ell).
Probability theoryProbability theory or probability calculus is the branch of mathematics concerned with probability. Although there are several different probability interpretations, probability theory treats the concept in a rigorous mathematical manner by expressing it through a set of axioms. Typically these axioms formalise probability in terms of a probability space, which assigns a measure taking values between 0 and 1, termed the probability measure, to a set of outcomes called the sample space.
Molecular orbital theoryIn chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.
Probability distributionIn probability theory and statistics, a probability distribution is the mathematical function that gives the probabilities of occurrence of different possible outcomes for an experiment. It is a mathematical description of a random phenomenon in terms of its sample space and the probabilities of events (subsets of the sample space). For instance, if X is used to denote the outcome of a coin toss ("the experiment"), then the probability distribution of X would take the value 0.5 (1 in 2 or 1/2) for X = heads, and 0.
Quantum computingA quantum computer is a computer that exploits quantum mechanical phenomena. At small scales, physical matter exhibits properties of both particles and waves, and quantum computing leverages this behavior, specifically quantum superposition and entanglement, using specialized hardware that supports the preparation and manipulation of quantum states. Classical physics cannot explain the operation of these quantum devices, and a scalable quantum computer could perform some calculations exponentially faster than any modern "classical" computer.
Conditional probabilityIn probability theory, conditional probability is a measure of the probability of an event occurring, given that another event (by assumption, presumption, assertion or evidence) has already occurred. This particular method relies on event B occurring with some sort of relationship with another event A. In this event, the event B can be analyzed by a conditional probability with respect to A. If the event of interest is A and the event B is known or assumed to have occurred, "the conditional probability of A given B", or "the probability of A under the condition B", is usually written as P(AB) or occasionally P_B(A).
Probability axiomsThe Kolmogorov axioms are the foundations of probability theory introduced by Russian mathematician Andrey Kolmogorov in 1933. These axioms remain central and have direct contributions to mathematics, the physical sciences, and real-world probability cases. An alternative approach to formalising probability, favoured by some Bayesians, is given by Cox's theorem. The assumptions as to setting up the axioms can be summarised as follows: Let be a measure space with being the probability of some event , and .
Orbital hybridisationIn chemistry, orbital hybridisation (or hybridization) is the concept of mixing atomic orbitals to form new hybrid orbitals (with different energies, shapes, etc., than the component atomic orbitals) suitable for the pairing of electrons to form chemical bonds in valence bond theory. For example, in a carbon atom which forms four single bonds the valence-shell s orbital combines with three valence-shell p orbitals to form four equivalent sp3 mixtures in a tetrahedral arrangement around the carbon to bond to four different atoms.
Orbital elementsOrbital elements are the parameters required to uniquely identify a specific orbit. In celestial mechanics these elements are considered in two-body systems using a Kepler orbit. There are many different ways to mathematically describe the same orbit, but certain schemes, each consisting of a set of six parameters, are commonly used in astronomy and orbital mechanics. A real orbit and its elements change over time due to gravitational perturbations by other objects and the effects of general relativity.
Probability spaceIn probability theory, a probability space or a probability triple is a mathematical construct that provides a formal model of a random process or "experiment". For example, one can define a probability space which models the throwing of a die. A probability space consists of three elements: A sample space, , which is the set of all possible outcomes. An event space, which is a set of events, , an event being a set of outcomes in the sample space. A probability function, , which assigns each event in the event space a probability, which is a number between 0 and 1.
Linear combination of atomic orbitalsA linear combination of atomic orbitals or LCAO is a quantum superposition of atomic orbitals and a technique for calculating molecular orbitals in quantum chemistry. In quantum mechanics, electron configurations of atoms are described as wavefunctions. In a mathematical sense, these wave functions are the basis set of functions, the basis functions, which describe the electrons of a given atom. In chemical reactions, orbital wavefunctions are modified, i.e.
Bayesian probabilityBayesian probability (ˈbeɪziən or ˈbeɪʒən ) is an interpretation of the concept of probability, in which, instead of frequency or propensity of some phenomenon, probability is interpreted as reasonable expectation representing a state of knowledge or as quantification of a personal belief. The Bayesian interpretation of probability can be seen as an extension of propositional logic that enables reasoning with hypotheses; that is, with propositions whose truth or falsity is unknown.
Orbital spaceflightAn orbital spaceflight (or orbital flight) is a spaceflight in which a spacecraft is placed on a trajectory where it could remain in space for at least one orbit. To do this around the Earth, it must be on a free trajectory which has an altitude at perigee (altitude at closest approach) around ; this is the boundary of space as defined by NASA, the US Air Force and the FAA. To remain in orbit at this altitude requires an orbital speed of ~7.8 km/s. Orbital speed is slower for higher orbits, but attaining them requires greater delta-v.
OrbitIn celestial mechanics, an orbit (also known as orbital revolution) is the curved trajectory of an object such as the trajectory of a planet around a star, or of a natural satellite around a planet, or of an artificial satellite around an object or position in space such as a planet, moon, asteroid, or Lagrange point. Normally, orbit refers to a regularly repeating trajectory, although it may also refer to a non-repeating trajectory.
Electron configurationIn atomic physics and quantum chemistry, the electron configuration is the distribution of electrons of an atom or molecule (or other physical structure) in atomic or molecular orbitals. For example, the electron configuration of the neon atom is 1s2 2s2 2p6, meaning that the 1s, 2s and 2p subshells are occupied by 2, 2 and 6 electrons respectively. Electronic configurations describe each electron as moving independently in an orbital, in an average field created by all other orbitals.
Orbital eccentricityIn astrodynamics, the orbital eccentricity of an astronomical object is a dimensionless parameter that determines the amount by which its orbit around another body deviates from a perfect circle. A value of 0 is a circular orbit, values between 0 and 1 form an elliptic orbit, 1 is a parabolic escape orbit (or capture orbit), and greater than 1 is a hyperbola. The term derives its name from the parameters of conic sections, as every Kepler orbit is a conic section.
