Chemical potential, hardness, hardness and softness kernel and locak hardness in the isomorphic

De Proft, Frank; Shubin Liu
August 1997
Journal of Chemical Physics;8/22/1997, Vol. 107 Issue 8, p3000
Academic Journal
Describes relations among reactivity descriptors within the modified isomorphic ensemble of density functional theory. Expressions for the softness and hardness kernel derived in the canonical, grand canonical, isomorphic and grand isomorphic ensemble; Response of the system's external potential to a perturbation in electron number at a constant shape factor.


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