The linear combination of atomic orbitals (LCAO) is a method used in quantum chemistry to describe the molecular orbitals formed when atomic orbitals combine. This approach involves expressing a molecular orbital as a weighted sum of the atomic orbitals from the atoms involved, allowing for the prediction of bonding characteristics and electron distributions in molecules. It connects closely to group theory as it helps identify symmetry properties of molecular orbitals, which is essential for understanding molecular structure and behavior.
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