ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
It is suggested that simple electronic shielding effects induced by wave function antisymmetrization tend to govern the energy ordering of singlet and triplet terms within a two-electron atomic configuration. This approach gives rise to the following alternating rule: For the term of greatest orbital angular momentum within a configuration, the triplet lies below the singlet. The energy ordering reverses for the term of next highest angular momentum, and continues to alternate with each change of one unit in the orbital angular momentum until the term of lowest angular momentum is reached. In an examination of over 600 energy levels of the elements and their ions, the alternating rule reliably orders singlet-triplet energy levels in some 90% of the cases.
Additional Material:
1 Ill.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560180403
