Radial electron-pair densities in momentum space and shell structure of atoms

2001 ◽  
Vol 106 (4) ◽  
pp. 237-240 ◽  
Author(s):  
Toshikatsu Koga ◽  
Yuka Kato ◽  
Hisashi Matsuyama
Keyword(s):  
Shell Structure ◽  
Momentum Space ◽  
Electron Pair

One‐electron and electron pair densities of first‐row hydrides in momentum space

1993 ◽  
Vol 99 (12) ◽  
pp. 9745-9755 ◽  
Author(s):  
Jiahu Wang ◽  
Vedene H. Smith
Keyword(s):  
Momentum Space ◽  
Electron Pair

An investigation of atomic structure in position and momentum space by means of "ideal shells"

1992 ◽  
Vol 70 (2) ◽  
pp. 506-512 ◽  
Author(s):  
Hartmut Schmider ◽  
Robin P. Sagar ◽  
Vedene H. Smith Jr.
Keyword(s):  
Shell Structure ◽  
Momentum Space ◽  
Momentum Density ◽  
Density Functionals ◽  
Atomic Shell ◽  
Electron Number ◽  
Atomic Systems ◽  
Atomic Shell Structure ◽  
Irregular Behavior ◽  
Atomic Radii

For atomic systems, the boundaries in position and momentum space that enclose the exact electron number given by the aufbau principle have been numerically calculated. Their relatively irregular behavior as a function of the atomic number Z is demonstrated and explained in terms of corresponding irregularities of the aufbau principle. Direct comparisons of these radii with those derived from density functionals that are known to exhibit atomic shell structure are shown to be useful in judging the ability of the latter to define "physical" shells compatible with the aufbau principle. Keywords: atomic radii, shell structure, aufbau principle, charge density, momentum density.

The shell structure of atoms and ions in momentum space

1984 ◽  
Vol 80 (6) ◽  
pp. 2636-2642 ◽  
Author(s):  
Alfredo M. Simas ◽  
William M. Westgate ◽  
Vedene H. Smith
Keyword(s):  
Shell Structure ◽  
Momentum Space

Electron-pair densities of singly charged atoms in momentum space

1999 ◽  
Vol 32 (14) ◽  
pp. 3371-3382 ◽  
Author(s):  
Hisashi Matsuyama ◽  
Toshikatsu Koga ◽  
Yutaka Kato
Keyword(s):  
Momentum Space ◽  
Electron Pair ◽  
Singly Charged

Radial electron-pair densities and shell structure of atoms

2000 ◽  
Vol 33 (14) ◽  
pp. 2775-2781
Author(s):  
Toshikatsu Koga ◽  
Yoshihide Nii ◽  
Hisashi Matsuyama
Keyword(s):  
Shell Structure ◽  
Electron Pair

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

1999 ◽  
Vol 102 (1-6) ◽  
pp. 39-48 ◽  
Author(s):  
Toshikatsu Koga ◽  
Hisashi Matsuyama
Keyword(s):  
Momentum Space ◽  
Electron Pair ◽  
Atomic Electron
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