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Atomic electron-pair distances and subshell radii in position and momentum space

โœ Scribed by Toshikatsu Koga; Hisashi Matsuyama

Publisher
Springer
Year
1999
Tongue
English
Weight
179 KB
Volume
102
Category
Article
ISSN
1432-2234

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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

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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