Ab initio study of electronic structures
β
Wei-Xing Xu; K. D. Schierbaum; W. Goepel
π
Article
π
1997
π
John Wiley and Sons
π
English
β 194 KB
π 2 views
Electronic structures of a series of Pt clusters n s 2α12 have been n Ε½ . calculated by ab initio method SCFrMP2 . The result shows that compared to that at the saturated coordination site, Pt at the unsaturated coordination site has lower Pt 6 s electron occupancies, and the relationship between th