Chemical reactivity in density functional theory: the N-differentiability problem
- 1 November 1990
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 210, 29-38
- https://doi.org/10.1016/0166-1280(90)80021-f
Abstract
No abstract availableThis publication has 9 references indexed in Scilit:
- Molecular hardness and softness, local hardness and softness, hardness and softness kernels, and relations among these quantitiesThe Journal of Chemical Physics, 1988
- On the concept of local hardness in chemistryJournal of the American Chemical Society, 1985
- Electron density, Kohn–Sham frontier orbitals, and Fukui functionsThe Journal of Chemical Physics, 1984
- Density functional approach to the frontier-electron theory of chemical reactivityJournal of the American Chemical Society, 1984
- Absolute hardness: companion parameter to absolute electronegativityJournal of the American Chemical Society, 1983
- Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the EnergyPhysical Review Letters, 1982
- Electronegativity: The density functional viewpointThe Journal of Chemical Physics, 1978
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964