Hohenberg-Kohn theory definition

Dalton s atomic theory, overview, 1 De Broglie equation, 23 Delocalization energy, definition, 174 Density functional theory chemical potential, 192 computational chemistry, 189-192 density function determination, 189 exchange-correlation potential and energy relationship, 191-192 Hohenberg-Kohn theorem, 189-190 Kohn-Sham equations, 191 Weizsacker correction, 191 Determinism, concept, 4 DFT, see Density functional theory Dipole moment, molecular symmetry, 212-213... 

In this review, we will deal with molecular properties obtained via quantum mechanical methods where comparison with experiment when available will be made. Note, however, that not all properties considered are amenable to experiment. We will in particular show how the study of aromaticity can benefit a lot from density functional theory (DFT). " During the past decade, this theory has received enormous attention and gained a lot of popularity in the quantum chemistry community. Although some theories were developed in the past using the electron density (for a review, see, e.g., ref 44), it obtained its definitive status after the formulation of two theorems proven by Hohenberg en Kohn in 1964, putting forward the electron density as the basic variable... 

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