Maximum Chemical and Physical Hardness

Ralph G. Pearson
University of California at Santa Barbara, Department of Chemistry, Santa Barbara, CA 93106
J. Chem. Educ., 1999, 76 (2), p 267
DOI: 10.1021/ed076p267
Publication Date (Web): February 1, 1999

Abstract

Density functional theory (DFT) is briefly reviewed, especially concepts such as the electronic chemical potential and the hardness of the electron density function. There is much evidence, and a mathematical proof, that this chemical hardness is a maximum for an equilibrium system.

Keywords (Audience):

Upper-Division Undergraduate

Keywords (Domain):

Physical Chemistry

Keywords (Subject):

Theoretical Chemistry

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History

  • Received: August 03, 2009

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