On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy
Publication type: Journal Article
Publication date: 2022-12-29
scimago Q3
wos Q2
SJR: 0.384
CiteScore: 4.8
Impact factor: 2.0
ISSN: 00207608, 1097461X
Physical and Theoretical Chemistry
Atomic and Molecular Physics, and Optics
Condensed Matter Physics
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.
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6
Total citations:
6
Citations from 2025:
2
(33.34%)
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Anisimov A. A., Ananyev I. V. On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy // International Journal of Quantum Chemistry. 2022. Vol. 123. No. 9.
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Anisimov A. A., Ananyev I. V. On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy // International Journal of Quantum Chemistry. 2022. Vol. 123. No. 9.
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TY - JOUR
DO - 10.1002/qua.27082
UR - https://doi.org/10.1002/qua.27082
TI - On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy
T2 - International Journal of Quantum Chemistry
AU - Anisimov, Aleksei A
AU - Ananyev, Ivan V
PY - 2022
DA - 2022/12/29
PB - Wiley
IS - 9
VL - 123
SN - 0020-7608
SN - 1097-461X
ER -
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BibTex (up to 50 authors)
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@article{2022_Anisimov,
author = {Aleksei A Anisimov and Ivan V Ananyev},
title = {On the relationship between the strength of bonding between topological atoms and the exchange-correlation energy},
journal = {International Journal of Quantum Chemistry},
year = {2022},
volume = {123},
publisher = {Wiley},
month = {dec},
url = {https://doi.org/10.1002/qua.27082},
number = {9},
doi = {10.1002/qua.27082}
}
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