Minimum magnetizability principle

Abstract

A new electronic structure principle, viz., the minimum magnetizability principle, has been proposed and also has been verified through ab initio calculations, to extend the domain of applicability of the conceptual density functional theory in explaining the magnetic interactions and magnetochemistry. This principle may be stated as "a stable configuration/conformation of a molecule or a favorable chemical process is associated with a minimum value of the magnetizability." The behavior of paramagnetic and diamagnetic components has been separately studied.