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On the relationship between the strength of bonding between topological atoms and the exchange‐correlation energy.
- Source :
-
International Journal of Quantum Chemistry . 5/5/2023, Vol. 123 Issue 9, p1-8. 8p. - Publication Year :
- 2023
-
Abstract
- The titled relationship is considered in this paper in terms of the (de)localization phenomenon and its emanation in the positional coordinate space. The similarity between the strength of bonding of a topological atom (in the sense of the population of the corresponding atomic surface) and the delocalization index is discussed. Based on the hypervirial theorem, a scalar one‐particle field is suggested to visualize the consequences of (de)localization for the formation of bonding. [ABSTRACT FROM AUTHOR]
- Subjects :
- *BOND strengths
*SCALAR field theory
*CHEMICAL bonds
*ELECTRON density
Subjects
Details
- Language :
- English
- ISSN :
- 00207608
- Volume :
- 123
- Issue :
- 9
- Database :
- Academic Search Index
- Journal :
- International Journal of Quantum Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 162643370
- Full Text :
- https://doi.org/10.1002/qua.27082