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In quantum mechanics, 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.
Definition. A molecular orbital in which the electron density is concentrated in the internuclear region. The energy of a bonding molecular orbital is lower than the energy of the separate atomic orbitals from which it forms.