Transferability of atomic properties and the theorem of Hohenberg and Kohn
2
Laboratoire de Cristallographie, CNRS, 25 Avenue des Martyrs, 3800 Grenoble, France
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Publication type: Journal Article
Publication date: 1988-07-01
scimago Q2
wos Q2
SJR: 0.546
CiteScore: 5.9
Impact factor: 3.1
ISSN: 00092614, 18734448
Physical and Theoretical Chemistry
General Physics and Astronomy
Abstract
Quantum mechanics defines the average values and the equations of motion of observables for particular regions of real space, regions which are identified with the chemical atom. These spatial regions exhibit the property that their observable averages, including their energies, are directly determined by their charge distributions. This observation suggests the operation of a regional form of the theorem of Hohenberg and Kohn. Riess and Munch have shown that this theorem applies to a finite but otherwise arbitrary subdomain of a total (bounded) domain and that the energy of an atom in a molecule is indeed determined by its charge distribution. As a corollary to their proof, it is shown that perfect transferability of an atom between systems is an unattainable limit.
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Total citations:
83
Citations from 2025:
1
(1.2%)
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GOST
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Bader R. F. W., Becker P. Transferability of atomic properties and the theorem of Hohenberg and Kohn // Chemical Physics Letters. 1988. Vol. 148. No. 5. pp. 452-458.
GOST all authors (up to 50)
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Bader R. F. W., Becker P. Transferability of atomic properties and the theorem of Hohenberg and Kohn // Chemical Physics Letters. 1988. Vol. 148. No. 5. pp. 452-458.
Cite this
RIS
Copy
TY - JOUR
DO - 10.1016/0009-2614(88)87203-8
UR - https://doi.org/10.1016/0009-2614(88)87203-8
TI - Transferability of atomic properties and the theorem of Hohenberg and Kohn
T2 - Chemical Physics Letters
AU - Bader, R. F. W.
AU - Becker, P
PY - 1988
DA - 1988/07/01
PB - Elsevier
SP - 452-458
IS - 5
VL - 148
SN - 0009-2614
SN - 1873-4448
ER -
Cite this
BibTex (up to 50 authors)
Copy
@article{1988_Bader,
author = {R. F. W. Bader and P Becker},
title = {Transferability of atomic properties and the theorem of Hohenberg and Kohn},
journal = {Chemical Physics Letters},
year = {1988},
volume = {148},
publisher = {Elsevier},
month = {jul},
url = {https://doi.org/10.1016/0009-2614(88)87203-8},
number = {5},
pages = {452--458},
doi = {10.1016/0009-2614(88)87203-8}
}
Cite this
MLA
Copy
Bader, R. F. W., and P Becker. “Transferability of atomic properties and the theorem of Hohenberg and Kohn.” Chemical Physics Letters, vol. 148, no. 5, Jul. 1988, pp. 452-458. https://doi.org/10.1016/0009-2614(88)87203-8.