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Interelectronic angle densities of atoms in momentum space
Authors:Toshikatsu?Koga  mailto:koga@mmm.muroran-it.ac.jp"   title="  koga@mmm.muroran-it.ac.jp"   itemprop="  email"   data-track="  click"   data-track-action="  Email author"   data-track-label="  "  >Email author
Affiliation:(1) Department of Applied Chemistry, Muroran Institute of Technology, Muroran, Hokkaido, 050-8585, Japan
Abstract:
For the 102 atoms from He to Lr in their ground states, the Hartree–Fock interelectronic angle densities,¯Atheta12), in momentum space are reported, where ¯theta12 is the angle between the momentum vectorsp1 and p2 of two electrons. In the first three atoms, He–Be, ¯Atheta12) is found to be uniform independent of ¯theta12, while in the remaining 99 atoms,¯Atheta12) is larger for a large ¯theta12 than for a small ¯theta12. Accordingly, the average interelectronic angles in momentum space are 90° precisely for the three atoms and greater than 90° for the 99 atoms.
Keywords:Interelectronic angles  Two-electron densities  Atoms  Momentum space
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