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- Title
On the information obtained using Shannon's entropy through spin density.
- Authors
Flores-Gallegos, N.
- Abstract
In this work, we analyze the reaction H 2 + H using Shannon's entropy defined in terms of spin density in position and momentum spaces. We analyzed the changes in the trends obtained in terms of the first derivative of Shannon's entropy with respect to the electron number and with respect to spin density, in the first case, we show that this result is related to Fukui's function, while in the second case, we found that the functional derivative is related to the so-called generalized moments.
- Subjects
UNCERTAINTY (Information theory); MOMENTUM space; ENTROPY; DENSITY
- Publication
Journal of Mathematical Chemistry, 2023, Vol 61, Issue 7, p1532
- ISSN
0259-9791
- Publication type
Article
- DOI
10.1007/s10910-023-01481-9