Onicescu information energy in terms of Shannon entropy and Fisher information densities

Abstract

Following recent studies concerning the use of information theory in electronic structure theory of atomic and molecular systems, an analytical relationship between Onicescu information energy and densities of Shannon entropy and the two forms of the Fisher information has been presented. The established proof must be viewed in the light of the exponentially decaying nature of the asymptotic density of atoms and molecules.

Keywords:

• information theory
• Onicescu information energy
• Fisher information
• Shannon entropy
• electron density