Noun
LCAO (plural LCAOs)
(physics, chemistry) Initialism of linear combination of atomic orbitals.
In molecular orbital theory, the linear combination of atomic orbitals (LCAO) helps describe the delocalized molecular orbital structures and energies based on the atomic orbitals of the atoms they came from. Source: Internet
Linear combinations of atomic orbitals (LCAO) can be used to estimate the molecular orbitals that are formed upon bonding between the molecule's constituent atoms. Source: Internet