On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy

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.

Automated summary

This paper discusses the (de)localization phenomenon in the positional coordinate space and its relation to the strength of bonding of a topological atom. The similarity between the bonding strength (determined by the population of the corresponding atomic surface) and the delocalization index is explored. A scalar one-particle field is proposed based on the hypervirial theorem to visualize the consequences of (de)localization for the formation of bonding.