On the density functional relationship between static dipole polarizability and global softness

Simón-Manso, Y; Fuentealba, P

On the density functional relationship between static dipole polarizability and global softness

Date

1998

Authors

Simón-Manso, Y

Fuentealba, P

Abstract

The relationship between global softness and static dipole polarizability is explored from the analogy of the spherical averages defined within density functional theory. A cubic relationship is obtained that is consistent with the experimental observation for atoms. The relationship is found to hold reasonably well for similarly bonded molecules.