Chemical Hardness-Softness Density Related Hierarchies

1 CHEMICAL HARDNESS-SOFTNESS DENSITY RELATED HIERARCHIES 

The essence of the density function theory consist in writing the total energy of an TV-electronic system as a function of the electronic 

The univocal relationship between the external potential applied to the electronic system and the electronic density is assured by the Hohenberg-Kohn theorems (Hohenbeig Kohn, 1964). Besides, one of the theorem also state the inequality between the energy as a functional density of a random electrorric state E p and the corrected energy of the fundamental electronic state of the system E p.  

Quantum Nanochemistty—Volume II Quantum Atoms and Periodicity 

This is the first equation of the chemical transformation in TFT), because it correlate the total energy variation of an electronic state (atomic or molecular) with the charge exchanged to which is compiled, and with the potential variation which governed the electronic state. By applying the Maxwell relations to the equation results the next row of identities which define the Fukui functions Xr)  

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