화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.102, No.11, 2029-2032, 1998
On the density functional relationship between static dipole polarizability and global softness
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.