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Hardness and Softness Quantities

Comparison of the Molecular Hardness and Softness Quantities for the Rigid and Relaxed Geometries... [Pg.468]

We begin with a survey of the hardness and softness quantities in the local resolution [3,21,22]. In this description, the equilibrium (ground-state) density satisfies the Hohenberg- Kohn (HK) variational principle ... [Pg.32]

Before turning to specific uses of the various hardness and softness quantities, we state and outline the proofs of two important rules of nature, the Maximum Hardness Principle and the HSAB Principle. [Pg.18]

See other pages where Hardness and Softness Quantities is mentioned: [Pg.32]   


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