Hydrogen chemisorption on jellium: A simple interpretation
β Scribed by J.P. Muscat; D.M. Newns
- Publisher
- Elsevier Science
- Year
- 1977
- Tongue
- English
- Weight
- 361 KB
- Volume
- 61
- Category
- Article
- ISSN
- 0375-9601
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π SIMILAR VOLUMES
Molecular oxygen chemisorption on copper clusters has been studied using a jellium description of the clusters. Calculations were performed in the framework of the local spin density approximation and the density was expanded according to the MO-LCAO method. To evaluate the applicability of this app
The aim of this paper is to contribute to the mathematical description of chemisorption by using the Green matrix formalism to treat the adsorption of a hydrogen molecule on a monolayer of beryllium. This is done at a rigorous ab initio HF SCF level with correlation corrections of the Be surface, a