\_4 comparison of some resuhs from Xa-scattered wave (X&W) and extended Hiickel (EH) calculations for meti clusters is given. It is found that small clusters of atoms (== 13 zooms) using the XcAW method reproduce many of the featr;rcs ot the electronic structure of the bulk mcta!s, whereas this is n
SCF-Xα-MS calculations for H in metal clusters
✍ Scribed by J.P. van Dyke
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 305 KB
- Volume
- 69-70
- Category
- Article
- ISSN
- 0022-3115
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