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Quantum Simulation Quantum Chemistry

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

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Authors: Aleksei A. Anisimov, Ivan V. Ananyev

Year

2022

Paper ID

5160

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

75

Citations

7

Abstract

AbstractThe 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.

Why This Paper Matters

  • This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
  • It adds a 2022 reference point for readers tracking recent quantum research.
  • AbstractThe titled relationship is considered in this paper in terms of the (de)localization phenomenon and its emanation in the positional coordinate space.

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References & Citation Signals

[1] DOI https://doi.org/10.1002/qua.27082 [2] Publisher https://doi.org/10.1002/qua.27082

Local Citation Graph (Related-Paper Links)

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External citation index: OpenAlex citation signal • updated 2026-06-19 15:09:36

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