On the Nature of Chemical Bond: Space Enfoldings, Density Bond Matrices, Quantum Molecular Polyhedra, and a Collective Bond Description Proposal

Abstract

The nature of the quantum mechanical LCAO-MO Mulliken-like description is analyzed in light of constructing basis function enfolded spaces. As a result, the concept of the chemical bond can transform into a collective functional structure, where one considers the whole set of molecular atoms plus enfolding centers as bearing the chemical bond in various collective forms. Such an endeavor permits the discussion of many collateral subjects like density bond matrices, polyatomic bonds, quantum molecular polyhedra, and bond comparisons.