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Atomic wave functions for gold and thallium

Published online by Cambridge University Press:  24 October 2008

A. S. Douglas ,
D. R. Hartree  and
W. A. Runciman
A. S. Douglas
Affiliation:
University Mathematical LaboratoryCambridge
D. R. Hartree
Affiliation:
G. E. C. Research Laboratories Wembley, Middlesex†
W. A. Runciman
Affiliation:
Cavendish Laboratory Cambridge
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Extract

Before the war, self-consistent field calculations for the Au+ ion had been carried out by W. Hartree but were left still unpublished at his death (see prefatory note in (5)). These results have been used by Brenner and Brown (1) in a relativistic calculation of the K-absorption edge for gold, and they were also used in obtaining initial estimates for the partial self-consistent field calculations for thallium of which results are given in §§3–5 of the present paper. In the meantime an independent calculation for Au+ has been carried out by Henry (6), and his results agree closely with those of W. Hartree. However, it still seems desirable to publish the latter, since they give directly the radial wave function P(nl; r) at exact values of r, whereas Henry used log r as independent variable, as had been done for similar calculations for Hg(4), and has tabulated r½P(nl; r) which is the natural dependent variable to use with log r as independent variable (2); in some applications it is more convenient to have the radial wave functions themselves.

Type
Research Article
Information
Mathematical Proceedings of the Cambridge Philosophical Society , Volume 51 , Issue 3 , July 1955 , pp. 486 - 503
Copyright
Copyright © Cambridge Philosophical Society 1955

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References

REFERENCES

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