Aromaticity in Superconducting Solids: Kohn-Sham Density Functional Theory Based on Correlated Electron Pairs in Oscillatory Resonant Quantum States

Abstract Aromaticity in heteroatomic metal clusters has been studied. The issue is that most researchers evaluate aromaticity in solids based on the specific geometry the solid adopts under certain conditions. For small clusters with well-defined geometries, the concept of aromaticity is more applicable, but it becomes less effective for larger clusters. Understanding aromaticity is important because these compounds exhibit unusual properties, including superconductivity. In this work, we explain how the model of correlated electron pairs in oscillatory resonant quantum states converges in aromaticity and superconductivity in solids. Hückel's 4n + 2 rule, which requires a minimum of two electrons, supports the theoretical model. The coordinated oscillatory motion of the pairs, through the exchange of a boson, represents a two-time process of the 2n + 1 rule. Applying Density Functional Theory for pair diagnosis cannot be performed under the Born-Oppenheimer approximation, since it is the motion of the nuclei that creates the quantization of vibrations or the exchange bosons during the electron pair correlation. The boson is responsible for the combined spin change of the paired electrons and their oscillation in resonant quantum states. The pairs maintain their fermionic identity despite having opposite spins. They never condense and always have antisymmetric wave functions.