Abstract
Current studies in density functional theory and density matrix functional theory are reviewed, with special attention to the possible applications within chemistry. Topics discussed include the concept of electronegativity, the concept of an atom in a molecule, calculation of electronegativities from the Xα method, the concept of pressure, Gibbs-Duhem equation, Maxwell relations, stability conditions, and local density functional theory.
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© 1980 D. Reidel Publishing Company
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Parr, R.G. (1980). Density Functional Theory of Atoms and Molecules. In: Fukui, K., Pullman, B. (eds) Horizons of Quantum Chemistry. Académie Internationale Des Sciences Moléculaires Quantiques / International Academy of Quantum Molecular Science, vol 3. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-9027-2_2
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DOI: https://doi.org/10.1007/978-94-009-9027-2_2
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