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Locations of atomic centres in an electron-density synthesis

โœ Scribed by Megaw, H. D.


Book ID
114516467
Publisher
International Union of Crystallography
Year
1954
Tongue
English
Weight
136 KB
Volume
7
Category
Article
ISSN
0365-110X

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In density functional theory (DFT), a many-electron problem for the electron density in atoms may be reduced, according to the Koht-Sham scheme, to a one-electron problem. In the present work, a variational model is proposed which leads, within some assumptions, to the set of equations describing th