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
1992 ◽  
Vol 70 (2) ◽  
pp. 506-512 ◽  
Author(s):  
Hartmut Schmider ◽  
Robin P. Sagar ◽  
Vedene H. Smith Jr.

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.


2001 ◽  
Vol 106 (4) ◽  
pp. 237-240 ◽  
Author(s):  
Toshikatsu Koga ◽  
Yuka Kato ◽  
Hisashi Matsuyama

1999 ◽  
Vol 79 (9) ◽  
pp. 1321-1342
Author(s):  
Svenbjo Rnholm, Jo Rnborggreen

2015 ◽  
Vol 53 (4) ◽  
pp. 287-293
Author(s):  
Byung-Hyun Choi ◽  
Young Jin Kang ◽  
Sung-Hun Jung ◽  
Yong-Tae An ◽  
Mi-Jung Ji

2015 ◽  
Vol 30 (6) ◽  
pp. 610 ◽  
Author(s):  
ZHENG Guo-Qiang ◽  
ZHANG Wen-Chao ◽  
XU Xing ◽  
SHEN Rui-Qi ◽  
DENG Ji-Ping ◽  
...  

Sign in / Sign up

Export Citation Format

Share Document