The use of orthogonalized atomic orbitals in valence bond type wavefunctions ts critically examined. By analyzing a test case m detatl, it is shown that the simple interpretation of such wavefunctions in terms ofweighted chemical formulae can be misleading.
β¦ LIBER β¦
The orthogonal valence bond interpretation of ab initio chemisorption cluster model wavefunctions
β Scribed by A. Clotet; J.M. Ricart; J. Rubio; F. Illas
- Book ID
- 103667966
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 671 KB
- Volume
- 177
- Category
- Article
- ISSN
- 0301-0104
No coin nor oath required. For personal study only.
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