%0 Journal Article %1 springerlink:10.1007/BF00528562 %A Røeggen, I. %C Berlin / Heidelberg %D 1971 %I Springer %J Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta) %K diatomic mechanics physics quantum symmetry %N 4 %P 398-409 %R 10.1007/BF00528562 %T The inversion eigenvalues of non-σ states of diatomic molecules, expressed in terms of quantum numbers %U http://dx.doi.org/10.1007/BF00528562 %V 21 %X By adopting the phase convention of Condon and Shortley for spherical harmonics, it is shown how to determine in a standard way phases for electronic wave functions of a diatomic molecule. The method proposed is compared with the united atom method. On the basis of the phase convention introduced, the inversion eigenvalue of a non-$\Sigma$ state in a diatomic molecule is expressed in terms of quantum numbers characterizing the state in question. The inversion eigenvalue expressions are used to give an extended definition of Mulliken's c and d notation.

@article{springerlink:10.1007/BF00528562, abstract = {By adopting the phase convention of Condon and Shortley for spherical harmonics, it is shown how to determine in a standard way phases for electronic wave functions of a diatomic molecule. The method proposed is compared with the united atom method. On the basis of the phase convention introduced, the inversion eigenvalue of a non-$\Sigma$ state in a diatomic molecule is expressed in terms of quantum numbers characterizing the state in question. The inversion eigenvalue expressions are used to give an extended definition of Mulliken's c and d notation.}, added-at = {2012-07-08T04:35:32.000+0200}, address = {Berlin / Heidelberg}, author = {Røeggen, I.}, biburl = {https://www.bibsonomy.org/bibtex/2f77a20a98b64dad1fd832146dc2785bc/drmatusek}, doi = {10.1007/BF00528562}, interhash = {d9444a13d01d5b8ef20d5e9bf838117f}, intrahash = {f77a20a98b64dad1fd832146dc2785bc}, issn = {1432-881X}, journal = {Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)}, keyword = {Chemistry and Materials Science}, keywords = {diatomic mechanics physics quantum symmetry}, month = {December }, number = 4, pages = {398-409}, publisher = {Springer}, timestamp = {2013-03-04T04:04:41.000+0100}, title = {The inversion eigenvalues of non-σ states of diatomic molecules, expressed in terms of quantum numbers}, url = {http://dx.doi.org/10.1007/BF00528562}, volume = 21, year = 1971 }