ISSN:
1089-7690
Source:
AIP Digital Archive
Topics:
Physics
,
Chemistry and Pharmacology
Notes:
The spherically averaged momentum densities Π¯(p) for the ground states of the 92 neutral atoms from hydrogen to uranium, and of the 73 singly positive ions from helium to barium and from lutetium to radium, constructed from nonrelativistic SCF wave functions, are examined. From these investigations, it is noted that the general shape of Π¯(p) of an atomic system is clearly determined by the orbitals of the two outermost shells. Two distinct types of maxima that make Π¯(p) nonmonotonic have been investigated: (i) a slow type, which typically occurs for pε(0.0,0.6](h-dash-bar)a−10, and (ii) a fast type, not previously reported in the literature, which either is very small and barely noticeable, or is huge (as compared to those of the slow type), and which occurs for pε[0.7, 1.6](h-dash-bar)a−10 . The results indicate that while maxima of the slow type result from occupied p orbitals of the outermost shell when that shell possesses no occupied d orbitals, maxima of the fast type are the result of both d and p occupied orbitals.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1063/1.449069
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