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Electron density partitioning in atoms

✍ Scribed by Boyd, Russell J.

Book ID
121220807
Publisher
American Institute of Physics
Year
1977
Tongue
English
Weight
220 KB
Volume
66
Category
Article
ISSN
0021-9606

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An atoms-in-a-molecule partitioning procedure, based on the minimization of the molecular grand potential, is presented. The fragments in the molecule are obtained from a set of integral operators that project the total density into its components, with the sum of the fragment densities equal to the