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Thermodynamic responses of electronic systems.
- Source :
-
Journal of Chemical Physics . 2017, Vol. 147 Issue 9, p1-11. 11p. 1 Chart. - Publication Year :
- 2017
-
Abstract
- We present how the framework of the temperature-dependent chemical reactivity theory can describe the panorama of different types of interactions between an electronic system and external reagents. The key reactivity indicators are responses of an appropriate state function (like the energy or grand potential) to the variables that determine the state of the system (like the number of electrons/chemical potential, external potential, and temperature).We also consider the response of the average electron density to appropriate perturbations. We present computable formulas for these reactivity indicators and discuss their chemical utility for describing electronic, electrostatic, and thermal changes associated with chemical processes. [ABSTRACT FROM AUTHOR]
- Subjects :
- *THERMODYNAMICS
*DYNAMICS
*CHEMICAL reactions
*CHEMICAL processes
*CHEMICAL reagents
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 147
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 125040768
- Full Text :
- https://doi.org/10.1063/1.4999761