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Molecules with tetrahedral and octahedral symmetry. III. Theoretical basis of the ‘smoothing approximation’

Published online by Cambridge University Press:  24 October 2008

R. A. Ballinger  and
N. H. March
R. A. Ballinger
Affiliation:
Department of PhysicsThe UniversitySheffield
N. H. March
Affiliation:
Department of PhysicsThe UniversitySheffield
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Extract

In Parts I and II of this series (March(6); Ballinger and March(1)), we considered in detail the application of the Thomas-Fermi (T.F.) approximation to molecules with tetrahedral and octahedral symmetry. In these papers, following the work of Buckingham, Massey and Tibbs(2), who obtained results for CH4, we averaged the nuclear field over angles (the ‘smoothing approximation’) and considered the electrons as though they moved in the resulting central field. In this way, it was possible in (6) to carry through self-consistent (T.F.) calculations giving the electron distributions and potential fields in tetrahedral and octahedral molecules.

Type
Research Article
Information
Mathematical Proceedings of the Cambridge Philosophical Society , Volume 51 , Issue 3 , July 1955 , pp. 517 - 518
Copyright
Copyright © Cambridge Philosophical Society 1955

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References

REFERENCES

(1)Ballinger, R. A. and March, N. H.Proc. Camb. phil. Soc. 51 (1955); 504.CrossRefGoogle Scholar
(2)Buckingham, R. A., Massey, H. S. W. and Tibbs, S. R.Proc. roy. Soc. A, 178 (1941), 119.Google Scholar
(3)Corson, E. M.Perturbation methods in the quantum mechanics of n-electron systems (London, 1951), p. 168.Google Scholar
(4)Cundy, H. M.Proc. roy. Soc. A, 164 (1938), 420.Google Scholar
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(6)March, N. H.Proc. Camb. phil. Soc. 48 (1952), 665.Google Scholar