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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.
Simple Molecular Orbitals - Sigma and Pi Bonds in Molecules An atomic orbital is located on a single atom. When two (or more) atomic orbitals overlap to make a bond we can change our perspective to include all of the bonded atoms and their overlapping orbitals. Since more than one atom is involved, we refer to these orbitals as molecular orbitals.