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Unconventional Look at the Diameters of Quantum Systems: Could the Characteristic Atomic Radius Be Interpreted as a Reactivity Measure?

Decoding of atomic and ionic radii of transition metals in terms of energy response against changes in electron number and external potential variation has been considered. Energy as a functional of electron density by means of its derivatives is linked to response density and the electron detachment process. Employing charge sensitivity analysis and the electronegativity equalization principle, we interpret the electronic structure transformations (electron-following/preceding perspectives) into atomic diameters. Additionally, qualitative associations described within hard/soft acid/base theory and the approximate correlations of respective conceptual density functional theory reactivity descriptors were considered to meet postulates of the correspondence principle, giving the characteristic radius the attribute of latent variable related to quantum mechanical observables. By means of local density approximation, an insight from statistical analysis of frontier electron density complements the picture of...