## Abstract An __ab initio__ selfโconsistent computation has been performed on the permanganate ion (MnO) in a large basis set of contracted gaussian functions. The ground state description as well as those of the first two excited states are discussed and compared with those obtained experimentall
Diffusion of Li-ions in rutile. An ab initio study
โ Scribed by Marina V. Koudriachova; Nicholas M. Harrison; Simon W. de Leeuw
- Book ID
- 108409791
- Publisher
- Elsevier Science
- Year
- 2003
- Tongue
- English
- Weight
- 139 KB
- Volume
- 157
- Category
- Article
- ISSN
- 0167-2738
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