Approximate wave functions, with exchange for Mn+2

Author(s):  
D. R. Hartree

There has recently been some interest in atomic wave functions for the Mn+2 ion in two different physical contexts, namely neutron diffraction (Shull, Straussen and Wollan (12), and Halpern (3)) and luminescence in solids (Williams (14)). In the neutron diffraction context the particular substance concerned is MnF2, for which the nuclear scattering is small so that the main contribution to the diffraction of slow neutrons is through the magnetic scattering by the incomplete (3d)5 group of the Mn+2 ion.

In a recent papers I presented the results of calculations of approximate wave functions of two atoms, based on the method of the “self-consistent field”, these calculations having been carried out to a fairly high degree of numerical accuracy (for work of this kind) as regards both precision of the work and the approximation to the self-consistent field attained, in order that the results published should be quite dependable. I also gave a survey of the situation which led to such calculations being undertaken, and mentioned other atoms for which they were being made. This paper presents a second instalment of such results, namely, those for the atoms K + and Cs + . Of these atoms, Cs is the heaviest for which calculations of the self-consistent field have so far been completed, though work on a still heavier atom, namely, mercury, has been started, and it is hoped that rough results, at least, will be available before long.


2002 ◽  
Vol 88 (2) ◽  
pp. 263-274 ◽  
Author(s):  
Shun S. Lo ◽  
Daniel A. Morales

1996 ◽  
Vol 05 (04) ◽  
pp. 717-724 ◽  
Author(s):  
D.N. KADREV ◽  
A.N. ANTONOV ◽  
M.V. STOITSOV ◽  
S.S. DIMITROVA

Natural orbitals obtained within the coherent density fluctuation model and containing nucleon correlation effects are used to calculate characteristics of the A-nucleon system, such as the electron elastic magnetic scattering form factors. The calculations are performed for nuclei with a doubly-closed core and a valence nucleon in a stretched configuration (j=l+1/2), such as the 17 O and 41 Ca nuclei. It is shown that the calculations of the transverse form factor using natural orbitals improve the agreement with the experimental data in comparison with the case when shell-model single-particle wave functions are used.


1932 ◽  
Vol 42 (1) ◽  
pp. 33-43 ◽  
Author(s):  
J. C. Slater
Keyword(s):  

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