linear combination of atomic orbitals approximation
Quick Summary
The linear combination of atomic orbitals (LCAO) approximation is a method used in molecular orbital (MO) theory to construct molecular orbitals (MOs) from atomic orbitals (AOs). In this approximation, each MO is represented as a sum of AOs from the atoms within the molecule. The contribution of each AO to the MO indicates the probability of finding an electron on that atom. The resulting shape and energy of the MO depend on how these AOs interfere, either constructively or destructively. This approach is a fundamental step in understanding chemical bonding and molecular properties through quantum mechanics.123
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