Upper bounds to atomic electron densities in position and momentum spaces
โ Scribed by Elvira Romera; Toshikatsu Koga; Juan Carlos Angulo; Jesus S. Dehesa
- Book ID
- 110297236
- Publisher
- Springer
- Year
- 2000
- Tongue
- English
- Weight
- 131 KB
- Volume
- 28
- Category
- Article
- ISSN
- 0259-9791
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
Based on multi-configuration Hartree-Fock calculations, correlated interelectronic angle densities are systematically reported for the first 10 members of two-electron atoms in both position and momentum spaces. In position space, the electron correlation is found to modify the uniform Hartree-Fock
rn Motivated by McWeeny's pioneering work on the solution of the Schrodinger equation in momentum space and his early treatment of X-ray scattering factors from the electron distribution p(r) in both isolated and bonded atoms, the relation between momentum space moments ( p") and p(r) is first devel
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)