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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
Affiliation:
Department of PhysicsThe UniversitySheffield
N. H. March
Affiliation:
Department of PhysicsThe UniversitySheffield

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
Copyright
Copyright © Cambridge Philosophical Society 1955

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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.CrossRefGoogle 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.CrossRefGoogle Scholar
(5)Devonshire, A. F.Proc. roy. Soc. A, 153 (1936), 601.CrossRefGoogle Scholar
(6)March, N. H.Proc. Camb. phil. Soc. 48 (1952), 665.CrossRefGoogle Scholar
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