Chakravorty, Subhas J. ; Gadre, Shridhar R. (1987) Coulomb energy, total X-ray scattering intensities and average electron densities Chemical Physics Letters, 142 (3-4). pp. 205-208. ISSN 0009-2614
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Official URL: http://linkinghub.elsevier.com/retrieve/pii/000926...
Related URL: http://dx.doi.org/10.1016/0009-2614(87)80923-5
Abstract
A number of relationships among the Coulomb energy, total X-ray scattering intensities, rn values, and average electron densities have been derived. Gradient-free upper and lower bounds to J[ρ], the Coulomb energy for atoms, have been obtained, e.g. 1/18Π2<r-13/r-2>≤J[g9]≤½N<r-1> Fairly tight lower bounds to the average electron densities in position and momentum spaces, viz. <ρ> and <γ> have been derived.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 10523 |
| Deposited On: | 04 Nov 2010 05:16 |
| Last Modified: | 31 May 2011 10:51 |
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