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Theoretical Chemistry Accounts

, Volume 110, Issue 2, pp 79–84 | Cite as

Interelectronic angle densities of atoms in momentum space

  • Toshikatsu KogaEmail author
Article

Abstract.

For the 102 atoms from He to Lr in their ground states, the Hartree–Fock interelectronic angle densities,¯A(¯θ12), in momentum space are reported, where ¯θ12 is the angle between the momentum vectorsp1 and p2 of two electrons. In the first three atoms, He–Be, ¯A(¯θ12) is found to be uniform independent of ¯θ12, while in the remaining 99 atoms,¯A(¯θ12) is larger for a large ¯θ12 than for a small ¯θ12. 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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Notes

Acknowledgments.

This work was supported in part by a Grant-in-Aid for Scientific Research from the Ministry of Education of Japan.

Copyright information

© Springer-Verlag Berlin Heidelberg 2003

Authors and Affiliations

  1. 1.Department of Applied ChemistryMuroran Institute of TechnologyMuroranJapan

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