In
chemistry, a
molecular orbital (or
MO) is a
mathematical function describing the 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 term "orbital" was first used in English by
Robert S. Mulliken as the English translation of
Schrödinger's 'Eigenfunktion'. It has since been equated with the "region" generated with the function. Molecular orbitals are usually constructed by combining
atomic orbitals or
hybrid orbitals from each
atom of the molecule, or other molecular orbitals from groups of atoms. They can be quantitatively calculated using the
Hartree-Fock or Self-Consistent Field (SCF) methods.