Electron momentum densities and Compton profiks for some linear di-and Q-i-atomic heteronuckar molecules have been extracted from the esclusive knowledge of electron density in the coordinate space, p(r). The procedure developed is based upon semi-classical considerations. The application of the pre
Transformation from metallic electron charge density to electron momentum
β Scribed by R.R. Mishra; R.M. Singru
- Publisher
- Elsevier Science
- Year
- 1986
- Tongue
- English
- Weight
- 263 KB
- Volume
- 60
- Category
- Article
- ISSN
- 0038-1098
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π SIMILAR VOLUMES
The average electron density in momentum space, viz. ( y ), where y(p) is the electron momentum density, is defined and shown to be experimentally measureable. The connection is obtained via the relation 8x'(y) =JB\*(s) d.r, where B(s) is the reciprocal form factor. The approximate relationships (p)
A procedure to represent Hartree-Fock electron densities in atoms [L. Femandez Pacios, J. Comp. Chem., 14,410 (1993)l defines p ( r > as a reduced expansion of exponential functions. These analytically modeled densities (AMDs) are used in this article to develop a simple computational procedure for