# Linear combination of atomic orbitals molecular orbital method

The

**Linear Combination of Atomic Orbitals Molecular Orbital Method** (usually referred to as the LCAO MO Method) is a technique for calculating

molecular orbitals in

quantum chemistry. It was introduced in

1929 by

Sir John Lennard-Jones
The orbitals are expressed as linear combinations of basis functions, and the basis functions are one-electron functions centered on nuclei of the component atoms of the molecule. By minimizing the energy, an appropriate set of coefficients of the linear combinations is determined.