Which outcome occurs when the wave function overlap integral is non-zero during energy minimization with Kohn-Sham density functional theory?

💡 Explanation

Stabilization of the molecular orbital occurs because constructive interference results, due to electron density contributions from both atomic orbitals according to the Linear Combination of Atomic Orbitals mechanism. Therefore, a chemical bond can form, rather than repulsion dominating in other conditions as required by antibonding.

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