Popular electronic structure principles in a dynamical context

Abstract

To understand the implications of the electronegativity equalization principle, the maximum hardness principle, the minimum polarizability principle, and the maximum entropy principle in a time dependent situation, a charge transfer process from a Be atom to an a-particle is studied within a quantum fluid density functional framework. It is observed that in general a system tries to evolve to a state associated with maximum hardness, maximum entropy, and minimum polarizability values.