Partial Wave Theory of Diatomic Molecules. II
- 15 January 1965
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 42 (2) , 644-649
- https://doi.org/10.1063/1.1695985
Abstract
The method of expanding the wavefunction of diatomic molecules in a series of orbital angular momentum eigenfunctions (partial waves) is extended to two‐electron homonuclear molecules. The angular momentum is a function of the Euler angles only; a symmetric choice of these angles is used which greatly facilitates the description of the exchange character of the wavefunction. As a result, explicit equations for the three‐dimensional ``radial'' functions can be derived for all the different magnetic, parity, and exchange states. For Σ states the partial wave sums only go over alternate values of the angular momentum giving rise to the expectation of an even more rapidly convergent series in these cases.Keywords
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