The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions

Chattaraj, Pratim K. ; Liu, Guang H. ; Parr, Robert G. (1995) The maximum hardness principle in the Gyftopoulos-Hatsopoulos three-level model for an atomic or molecular species and its positive and negative ions Chemical Physics Letters, 237 (1-2). pp. 171-176. ISSN 0009-2614

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Official URL: http://www.sciencedirect.com/science/article/pii/0...

Related URL: http://dx.doi.org/10.1016/0009-2614(95)00280-H

Abstract

The maximum hardness principle is examined within the Gyftopoulos-Hatsopoulos three-level model for an electronic system. As an atom or a molecule approaches equilibrium at some chemical potential μ and constant temperature T, its softness (inverse hardness) is shown to most often approach a minimum value.

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