Localized Molecular Constraint on Electron Delocalization in a Metallic Chain
β Scribed by Nilius, N.; Wallis, T. M.; Ho, W.
- Book ID
- 125546915
- Publisher
- The American Physical Society
- Year
- 2003
- Tongue
- English
- Weight
- 249 KB
- Volume
- 90
- Category
- Article
- ISSN
- 0031-9007
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π SIMILAR VOLUMES
## Abstract The localization characteristics of the electronic wave functions in a finite oneβdimensional chain with the diagonal or the offβdiagonal disorder of the potentials have been studied. It has been shown that the eigenfuction at the frontier level is relatively βstrongβ against the tempta
## Abstract A number of molecular oneβelectron progperties have been analyzed by partitioning their electronic components over energy localized molecular orbitals (LMO). The ammonia and ethane molecules, calculated in an Approximately double zeta qualtiy basis set, were considered. The partitioning