Atomic one- and two-electron subshell moments in position and momentum spaces
โ Scribed by Toshikatsu Koga; Hisashi Matsuyama
- Publisher
- Springer
- Year
- 1998
- Tongue
- English
- Weight
- 286 KB
- Volume
- 99
- Category
- Article
- ISSN
- 1432-2234
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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
RececeQred 8 July 3.910 . ' Some ~nequkities aiie derived for electronic expectation values in position and ~~rneat~ spaces from theoretkal considerations inchtding the Schwvarz inequality. The influence of the type of the basis (usual exponential orbitala or gaussian orbits.&) is analysed. Numerica