A method of simplifying the solution of secular equations occurring in electronic structure, normal mode and nuclear spin state calculations for molecules possessing symmetry is illustrated by applying it to the x-electrons of the recently discovered Co, cluster. In contrast to the usual procedure,
High symmetries in quantum chemistry
β Scribed by W. Byers Brown
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 63 KB
- Volume
- 139
- Category
- Article
- ISSN
- 0009-2614
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π SIMILAR VOLUMES
A general scheme to symmetrize a broken symmetry wave function is described. It offers great flexibility in the choice of the set of functions used to expand the symmetrized functions. The traditional symmetrization approaches are related to some particular choices of these functions. New choices ar
The presentation of sophisticated atomic theory (quantum mechanics) in secondary chemistry texts is not accompanied by sufficient evidence or applications to promote its rational acceptance as determined by a model of conceptual change. Eight secondary chemistry texts were analyzed for four elements