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Equivalent functions: hybrids and Wannier functions

Published online by Cambridge University Press:  24 October 2008

S. L. Altmann  and
C. A. Coulson
S. L. Altmann
Affiliation:
Mathematical Institute‡Oxford
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Extract

In the last two decades a family of closely related functions have been introduced for the solution of quantum-mechanical problems. In dealing with atomic and molecular systems Pauling (12) introduced in 1928 linear combinations of the eigenfunctions of a single atom, which were called hybrids. These have specific symmetry properties which were utilized by Kimball (6) to construct a group-theoretical method for their determination. More recently Lennard-Jones (8) defined linear combinations of molecular eigenfunctions which he called equivalent orbitals. These are formally similar to the hybrids and Lennard-Jones took over the Kimball method for their determination.

Type
Research Article
Information
Mathematical Proceedings of the Cambridge Philosophical Society , Volume 54 , Issue 2 , April 1958 , pp. 197 - 206
Copyright
Copyright © Cambridge Philosophical Society 1958

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References

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