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LCAO principles
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Atomic orbital



An atomic orbital is a mathematical function that describes the wave-like behavior of either one electron or a pair of electrons 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 may also refer to the physical region or space where the electron can be calculated to be present, as defined by the particular mathematical form of the orbital.Each orbital in an atom is characterized by a unique set of values of the three quantum numbers n, ℓ, and m, which respectively correspond to the electron's energy, angular momentum, and an angular momentum vector component (the magnetic quantum number). Any orbital can be occupied by a maximum of two electrons, each with its own spin quantum number. The simple names s orbital, p orbital, d orbital and f orbital refer to orbitals with angular momentum quantum number ℓ = 0, 1, 2 and 3 respectively. These names, together with the value of n, are used to describe the electron configurations of atoms. They are derived from the description by early spectroscopists of certain series of alkali metal spectroscopic lines as sharp, principal, diffuse, and fundamental. Orbitals for ℓ > 3 continue alphabetically, omitting j (g, h, i, k, …).Atomic orbitals are the basic building blocks of the atomic orbital model (alternatively known as the electron cloud or wave mechanics model), a modern framework for visualizing the submicroscopic behavior of electrons in matter. In this model the electron cloud of a multi-electron atom may be seen as being built up (in approximation) in an electron configuration that is a product of simpler hydrogen-like atomic orbitals. The repeating periodicity of the blocks of 2, 6, 10, and 14 elements within sections of the periodic table arises naturally from the total number of electrons that occupy a complete set of s, p, d and f atomic orbitals, respectively.
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